2,5-dichloro-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide

C13H12Cl2N2O4S2 — CID 1150878

IUPAC2,5-dichloro-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CNS(=O)(=O)c2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C13H12Cl2N2O4S2/c14-10-3-6-12(15)13(7-10)23(20,21)17-8-9-1-4-11(5-2-9)22(16,18)19/h1-7,17H,8H2,(H2,16,18,19)
InChIKeyOTQCFPZTTUCWJU-UHFFFAOYSA-N
MW395.29 g/mol
LogP2.12
Rot. Bonds5

About 2,5-dichloro-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide

2,5-dichloro-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide (PubChem CID 1150878) has the molecular formula C13H12Cl2N2O4S2 and a molecular weight of 395.29 g/mol. Its IUPAC name is 2,5-dichloro-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide
PubChem CID1150878
Molecular FormulaC13H12Cl2N2O4S2
Molecular Weight395.29 g/mol
Exact Mass393.96
IUPAC Name2,5-dichloro-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CNS(=O)(=O)c2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C13H12Cl2N2O4S2/c14-10-3-6-12(15)13(7-10)23(20,21)17-8-9-1-4-11(5-2-9)22(16,18)19/h1-7,17H,8H2,(H2,16,18,19)
InChIKeyOTQCFPZTTUCWJU-UHFFFAOYSA-N
XLogP2.12
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.29
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide (CID 1150878) is 2,5-dichloro-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide is NS(=O)(=O)c1ccc(CNS(=O)(=O)c2cc(Cl)ccc2Cl)cc1.
What is the InChIKey of 2,5-dichloro-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide?
The InChIKey is OTQCFPZTTUCWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O4S2/c14-10-3-6-12(15)13(7-10)23(20,21)17-8-9-1-4-11(5-2-9)22(16,18)19/h1-7,17H,8H2,(H2,16,18,19).
What are the key properties of 2,5-dichloro-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide?
2,5-dichloro-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide has a molecular weight of 395.29 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 1150878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).