3-[benzyl-(2-chlorophenyl)sulfamoyl]-N-(cyclopropylmethyl)benzamide

C24H23ClN2O3S — CID 30752481

IUPAC3-[benzyl-(2-chlorophenyl)sulfamoyl]-N-(cyclopropylmethyl)benzamide
SMILESO=C(NCC1CC1)c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2Cl)c1
InChIInChI=1S/C24H23ClN2O3S/c25-22-11-4-5-12-23(22)27(17-19-7-2-1-3-8-19)31(29,30)21-10-6-9-20(15-21)24(28)26-16-18-13-14-18/h1-12,15,18H,13-14,16-17H2,(H,26,28)
InChIKeyLJLGATKMAONRTF-UHFFFAOYSA-N
MW454.98 g/mol
LogP4.88
Rot. Bonds8

About 3-[benzyl-(2-chlorophenyl)sulfamoyl]-N-(cyclopropylmethyl)benzamide

3-[benzyl-(2-chlorophenyl)sulfamoyl]-N-(cyclopropylmethyl)benzamide (PubChem CID 30752481) has the molecular formula C24H23ClN2O3S and a molecular weight of 454.98 g/mol. Its IUPAC name is 3-[benzyl-(2-chlorophenyl)sulfamoyl]-N-(cyclopropylmethyl)benzamide.

Molecular Properties

Compound Name3-[benzyl-(2-chlorophenyl)sulfamoyl]-N-(cyclopropylmethyl)benzamide
PubChem CID30752481
Molecular FormulaC24H23ClN2O3S
Molecular Weight454.98 g/mol
Exact Mass454.11
IUPAC Name3-[benzyl-(2-chlorophenyl)sulfamoyl]-N-(cyclopropylmethyl)benzamide
SMILESO=C(NCC1CC1)c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2Cl)c1
InChIInChI=1S/C24H23ClN2O3S/c25-22-11-4-5-12-23(22)27(17-19-7-2-1-3-8-19)31(29,30)21-10-6-9-20(15-21)24(28)26-16-18-13-14-18/h1-12,15,18H,13-14,16-17H2,(H,26,28)
InChIKeyLJLGATKMAONRTF-UHFFFAOYSA-N
XLogP4.88
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.98
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[benzyl-(2-chlorophenyl)sulfamoyl]-N-(3-methoxypropyl)benzamide
CID 2538961
3-[benzyl-(2-chlorophenyl)sulfamoyl]-N-(furan-2-ylmethyl)benzamide
CID 2704667
3-[benzyl-(2-chlorophenyl)sulfamoyl]-N-(1-hydroxybutan-2-yl)benzamide
CID 112771472
N-benzyl-N-(2-chlorophenyl)-3-(4-oxopiperidine-1-carbonyl)benzenesulfonamide
CID 17438653
naphthalen-1-yl 3-[benzyl-(2-chlorophenyl)sulfamoyl]benzoate
CID 2397579
2-(diethylamino)ethyl 3-[benzyl-(2-chlorophenyl)sulfamoyl]benzoate
CID 2469428
N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-3-[[benzyl(methyl)amino]methyl]benzamide
CID 60616235
3-[benzyl(phenyl)sulfamoyl]-N-(2-methoxyethyl)benzamide
CID 35810494
N-[[1-[3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]benzoyl]piperidin-4-yl]methyl]acetamide
CID 55781310
3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]-N-(cyclopropylmethyl)-N-prop-2-ynylbenzamide
CID 71910625
3-[benzyl(phenyl)sulfamoyl]-N-methoxybenzamide
CID 33098006
N-(3-butoxypropyl)-3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]benzamide
CID 43002903

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl-(2-chlorophenyl)sulfamoyl]-N-(cyclopropylmethyl)benzamide?
The IUPAC name of 3-[benzyl-(2-chlorophenyl)sulfamoyl]-N-(cyclopropylmethyl)benzamide (CID 30752481) is 3-[benzyl-(2-chlorophenyl)sulfamoyl]-N-(cyclopropylmethyl)benzamide.
What is the SMILES notation for 3-[benzyl-(2-chlorophenyl)sulfamoyl]-N-(cyclopropylmethyl)benzamide?
The canonical SMILES for 3-[benzyl-(2-chlorophenyl)sulfamoyl]-N-(cyclopropylmethyl)benzamide is O=C(NCC1CC1)c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2Cl)c1.
What is the InChIKey of 3-[benzyl-(2-chlorophenyl)sulfamoyl]-N-(cyclopropylmethyl)benzamide?
The InChIKey is LJLGATKMAONRTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN2O3S/c25-22-11-4-5-12-23(22)27(17-19-7-2-1-3-8-19)31(29,30)21-10-6-9-20(15-21)24(28)26-16-18-13-14-18/h1-12,15,18H,13-14,16-17H2,(H,26,28).
What are the key properties of 3-[benzyl-(2-chlorophenyl)sulfamoyl]-N-(cyclopropylmethyl)benzamide?
3-[benzyl-(2-chlorophenyl)sulfamoyl]-N-(cyclopropylmethyl)benzamide has a molecular weight of 454.98 g/mol, XLogP of 4.88, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl-(2-chlorophenyl)sulfamoyl]-N-(cyclopropylmethyl)benzamide is sourced from PubChem (CID 30752481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).