Benzoic acid, p-(m-(bis(2-chloroethyl)amino)benzenesulfonamido)-
Basic information
- CAS
58278-31-2- Standard SMILES
O=C(O)c1ccc(NS(=O)(=O)c2cccc(N(CCCl)CCCl)c2)cc1- InChIKey
OGJGPDROOLZFIW-UHFFFAOYSA-N- Molecular formula
- C17H18Cl2N2O4S
- Average molar mass
- 417.3 g/mol
- Monoisotopic mass
- 416.0364336
Names & identifiers
- Preferred name
- Benzoic acid, p-(m-(bis(2-chloroethyl)amino)benzenesulfonamido)-
- IUPAC
- 4-[[3-[bis(2-chloroethyl)amino]phenyl]sulfonylamino]benzoic acid
Names & synonyms
BRN 3016045BENZOIC ACID, p-(m-(BIS(2-CHLOROETHYL)AMINO)BENZENESULFONAMIDO)-58278-31-2p-(m-(Bis(2-chloroethyl)amino)benzenesulfonamido)benzoic acidDTXSID70207009RefChem:327847DTXCID201295004-{3-[Bis(2-chloroethyl)amino]benzene-1-sulfonamido}benzoic acid
Database identifiers
- CAS
58278-31-2- PubChem CID
- 42687
- DTXSID
DTXSID70207009- Nikkaji
- J73.867K
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 95.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 541
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Compound notes
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