2-chloro-5-[(3-methylphenyl)sulfamoyl]-N-pentan-2-ylbenzamide

C19H23ClN2O3S — CID 24639436

IUPAC2-chloro-5-[(3-methylphenyl)sulfamoyl]-N-pentan-2-ylbenzamide
SMILESCCCC(C)NC(=O)c1cc(S(=O)(=O)Nc2cccc(C)c2)ccc1Cl
InChIInChI=1S/C19H23ClN2O3S/c1-4-6-14(3)21-19(23)17-12-16(9-10-18(17)20)26(24,25)22-15-8-5-7-13(2)11-15/h5,7-12,14,22H,4,6H2,1-3H3,(H,21,23)
InChIKeyRKEMJUGQXZUTEX-UHFFFAOYSA-N
MW394.92 g/mol
LogP4.37
Rot. Bonds7

About 2-chloro-5-[(3-methylphenyl)sulfamoyl]-N-pentan-2-ylbenzamide

2-chloro-5-[(3-methylphenyl)sulfamoyl]-N-pentan-2-ylbenzamide (PubChem CID 24639436) has the molecular formula C19H23ClN2O3S and a molecular weight of 394.92 g/mol. Its IUPAC name is 2-chloro-5-[(3-methylphenyl)sulfamoyl]-N-pentan-2-ylbenzamide.

Molecular Properties

Compound Name2-chloro-5-[(3-methylphenyl)sulfamoyl]-N-pentan-2-ylbenzamide
PubChem CID24639436
Molecular FormulaC19H23ClN2O3S
Molecular Weight394.92 g/mol
Exact Mass394.11
IUPAC Name2-chloro-5-[(3-methylphenyl)sulfamoyl]-N-pentan-2-ylbenzamide
SMILESCCCC(C)NC(=O)c1cc(S(=O)(=O)Nc2cccc(C)c2)ccc1Cl
InChIInChI=1S/C19H23ClN2O3S/c1-4-6-14(3)21-19(23)17-12-16(9-10-18(17)20)26(24,25)22-15-8-5-7-13(2)11-15/h5,7-12,14,22H,4,6H2,1-3H3,(H,21,23)
InChIKeyRKEMJUGQXZUTEX-UHFFFAOYSA-N
XLogP4.37
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.92
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(1-methoxypropan-2-yl)-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 18161222
2-chloro-N-pentan-2-yl-5-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 43019696
2-chloro-N-(3-methylphenyl)-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 1310313
N-(1-hydroxypropan-2-yl)-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 78856387
2-chloro-5-[(3-methylphenyl)sulfamoyl]benzoate
CID 6921137
2-chloro-5-[(2-fluorophenyl)sulfamoyl]-N-pentan-2-ylbenzamide
CID 42890307
3-[(4-methylphenyl)sulfonylamino]-N-pentan-2-ylbenzamide
CID 19062395
N-[4-(carbamoylamino)phenyl]-2-chloro-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 33156080
2-chloro-5-(methanesulfonamido)-N-[(2R)-pentan-2-yl]benzamide
CID 30397362
N-butan-2-yl-2-chloro-5-[(4-fluorophenyl)sulfamoyl]benzamide
CID 51160726
2-chloro-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 86945375
4-chloro-3-[(3,5-dimethylphenyl)sulfamoyl]-N-pentan-2-ylbenzamide
CID 4675305

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(3-methylphenyl)sulfamoyl]-N-pentan-2-ylbenzamide?
The IUPAC name of 2-chloro-5-[(3-methylphenyl)sulfamoyl]-N-pentan-2-ylbenzamide (CID 24639436) is 2-chloro-5-[(3-methylphenyl)sulfamoyl]-N-pentan-2-ylbenzamide.
What is the SMILES notation for 2-chloro-5-[(3-methylphenyl)sulfamoyl]-N-pentan-2-ylbenzamide?
The canonical SMILES for 2-chloro-5-[(3-methylphenyl)sulfamoyl]-N-pentan-2-ylbenzamide is CCCC(C)NC(=O)c1cc(S(=O)(=O)Nc2cccc(C)c2)ccc1Cl.
What is the InChIKey of 2-chloro-5-[(3-methylphenyl)sulfamoyl]-N-pentan-2-ylbenzamide?
The InChIKey is RKEMJUGQXZUTEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3S/c1-4-6-14(3)21-19(23)17-12-16(9-10-18(17)20)26(24,25)22-15-8-5-7-13(2)11-15/h5,7-12,14,22H,4,6H2,1-3H3,(H,21,23).
What are the key properties of 2-chloro-5-[(3-methylphenyl)sulfamoyl]-N-pentan-2-ylbenzamide?
2-chloro-5-[(3-methylphenyl)sulfamoyl]-N-pentan-2-ylbenzamide has a molecular weight of 394.92 g/mol, XLogP of 4.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(3-methylphenyl)sulfamoyl]-N-pentan-2-ylbenzamide is sourced from PubChem (CID 24639436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).