4-[[(4-chlorophenyl)methylsulfonylamino]methyl]benzenesulfonamide

C14H15ClN2O4S2 — CID 2974096

IUPAC4-[[(4-chlorophenyl)methylsulfonylamino]methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CNS(=O)(=O)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H15ClN2O4S2/c15-13-5-1-12(2-6-13)10-22(18,19)17-9-11-3-7-14(8-4-11)23(16,20)21/h1-8,17H,9-10H2,(H2,16,20,21)
InChIKeyLMBSQXVHLDBIMD-UHFFFAOYSA-N
MW374.87 g/mol
LogP1.61
Rot. Bonds6

About 4-[[(4-chlorophenyl)methylsulfonylamino]methyl]benzenesulfonamide

4-[[(4-chlorophenyl)methylsulfonylamino]methyl]benzenesulfonamide (PubChem CID 2974096) has the molecular formula C14H15ClN2O4S2 and a molecular weight of 374.87 g/mol. Its IUPAC name is 4-[[(4-chlorophenyl)methylsulfonylamino]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[[(4-chlorophenyl)methylsulfonylamino]methyl]benzenesulfonamide
PubChem CID2974096
Molecular FormulaC14H15ClN2O4S2
Molecular Weight374.87 g/mol
Exact Mass374.02
IUPAC Name4-[[(4-chlorophenyl)methylsulfonylamino]methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CNS(=O)(=O)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H15ClN2O4S2/c15-13-5-1-12(2-6-13)10-22(18,19)17-9-11-3-7-14(8-4-11)23(16,20)21/h1-8,17H,9-10H2,(H2,16,20,21)
InChIKeyLMBSQXVHLDBIMD-UHFFFAOYSA-N
XLogP1.61
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[(4-chlorophenyl)methylsulfonylamino]methyl]benzenesulfonamide?
The IUPAC name of 4-[[(4-chlorophenyl)methylsulfonylamino]methyl]benzenesulfonamide (CID 2974096) is 4-[[(4-chlorophenyl)methylsulfonylamino]methyl]benzenesulfonamide.
What is the SMILES notation for 4-[[(4-chlorophenyl)methylsulfonylamino]methyl]benzenesulfonamide?
The canonical SMILES for 4-[[(4-chlorophenyl)methylsulfonylamino]methyl]benzenesulfonamide is NS(=O)(=O)c1ccc(CNS(=O)(=O)Cc2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[[(4-chlorophenyl)methylsulfonylamino]methyl]benzenesulfonamide?
The InChIKey is LMBSQXVHLDBIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O4S2/c15-13-5-1-12(2-6-13)10-22(18,19)17-9-11-3-7-14(8-4-11)23(16,20)21/h1-8,17H,9-10H2,(H2,16,20,21).
What are the key properties of 4-[[(4-chlorophenyl)methylsulfonylamino]methyl]benzenesulfonamide?
4-[[(4-chlorophenyl)methylsulfonylamino]methyl]benzenesulfonamide has a molecular weight of 374.87 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-chlorophenyl)methylsulfonylamino]methyl]benzenesulfonamide is sourced from PubChem (CID 2974096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).