4-chloro-3-sulfamoyl-N-[(4-sulfamoylphenyl)methyl]benzamide

C14H14ClN3O5S2 — CID 2566555

IUPAC4-chloro-3-sulfamoyl-N-[(4-sulfamoylphenyl)methyl]benzamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)cc1
InChIInChI=1S/C14H14ClN3O5S2/c15-12-6-3-10(7-13(12)25(17,22)23)14(19)18-8-9-1-4-11(5-2-9)24(16,20)21/h1-7H,8H2,(H,18,19)(H2,16,20,21)(H2,17,22,23)
InChIKeyQJNBMRSJXIZVSU-UHFFFAOYSA-N
MW403.87 g/mol
LogP0.56
Rot. Bonds5

About 4-chloro-3-sulfamoyl-N-[(4-sulfamoylphenyl)methyl]benzamide

4-chloro-3-sulfamoyl-N-[(4-sulfamoylphenyl)methyl]benzamide (PubChem CID 2566555) has the molecular formula C14H14ClN3O5S2 and a molecular weight of 403.87 g/mol. Its IUPAC name is 4-chloro-3-sulfamoyl-N-[(4-sulfamoylphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-chloro-3-sulfamoyl-N-[(4-sulfamoylphenyl)methyl]benzamide
PubChem CID2566555
Molecular FormulaC14H14ClN3O5S2
Molecular Weight403.87 g/mol
Exact Mass403.01
IUPAC Name4-chloro-3-sulfamoyl-N-[(4-sulfamoylphenyl)methyl]benzamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)cc1
InChIInChI=1S/C14H14ClN3O5S2/c15-12-6-3-10(7-13(12)25(17,22)23)14(19)18-8-9-1-4-11(5-2-9)24(16,20)21/h1-7H,8H2,(H,18,19)(H2,16,20,21)(H2,17,22,23)
InChIKeyQJNBMRSJXIZVSU-UHFFFAOYSA-N
XLogP0.56
TPSA149.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.87
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-3-sulfamoylbenzamide
CID 9314668
2,6-dichloro-N-[(4-sulfamoylphenyl)methyl]pyridine-4-carboxamide
CID 84580537
3-[(5-bromo-2-methoxyphenyl)sulfamoyl]-4-chloro-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 4845355
4-fluoro-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 759573
4-chloro-N-methyl-3-sulfamoylbenzamide
CID 60637185
4-chloro-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-3-sulfamoylbenzamide
CID 24646619
N-[(4-nitrophenyl)methyl]-4-sulfamoylbenzamide
CID 10314877
4-methoxy-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 3581074
3-fluoro-4-methoxy-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 110761105
3,5-dimethoxy-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 1011870
N-[(4-sulfamoylphenyl)methyl]-1H-indazole-5-carboxamide
CID 18447408
3-(azepan-1-ylsulfonyl)-4-chloro-N-[(4-chlorophenyl)methyl]benzamide
CID 5155963

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-sulfamoyl-N-[(4-sulfamoylphenyl)methyl]benzamide?
The IUPAC name of 4-chloro-3-sulfamoyl-N-[(4-sulfamoylphenyl)methyl]benzamide (CID 2566555) is 4-chloro-3-sulfamoyl-N-[(4-sulfamoylphenyl)methyl]benzamide.
What is the SMILES notation for 4-chloro-3-sulfamoyl-N-[(4-sulfamoylphenyl)methyl]benzamide?
The canonical SMILES for 4-chloro-3-sulfamoyl-N-[(4-sulfamoylphenyl)methyl]benzamide is NS(=O)(=O)c1ccc(CNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)cc1.
What is the InChIKey of 4-chloro-3-sulfamoyl-N-[(4-sulfamoylphenyl)methyl]benzamide?
The InChIKey is QJNBMRSJXIZVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O5S2/c15-12-6-3-10(7-13(12)25(17,22)23)14(19)18-8-9-1-4-11(5-2-9)24(16,20)21/h1-7H,8H2,(H,18,19)(H2,16,20,21)(H2,17,22,23).
What are the key properties of 4-chloro-3-sulfamoyl-N-[(4-sulfamoylphenyl)methyl]benzamide?
4-chloro-3-sulfamoyl-N-[(4-sulfamoylphenyl)methyl]benzamide has a molecular weight of 403.87 g/mol, XLogP of 0.56, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-sulfamoyl-N-[(4-sulfamoylphenyl)methyl]benzamide is sourced from PubChem (CID 2566555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).