3-chloro-4-(methanesulfonamido)-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide

C17H19ClN2O3S — CID 93486317

IUPAC3-chloro-4-(methanesulfonamido)-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide
SMILESCc1ccc([C@H](C)NC(=O)c2ccc(NS(C)(=O)=O)c(Cl)c2)cc1
InChIInChI=1S/C17H19ClN2O3S/c1-11-4-6-13(7-5-11)12(2)19-17(21)14-8-9-16(15(18)10-14)20-24(3,22)23/h4-10,12,20H,1-3H3,(H,19,21)/t12-/m0/s1
InChIKeyAQQHGAHKCQRCJO-LBPRGKRZSA-N
MW366.87 g/mol
LogP3.51
Rot. Bonds5

About 3-chloro-4-(methanesulfonamido)-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide

3-chloro-4-(methanesulfonamido)-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide (PubChem CID 93486317) has the molecular formula C17H19ClN2O3S and a molecular weight of 366.87 g/mol. Its IUPAC name is 3-chloro-4-(methanesulfonamido)-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name3-chloro-4-(methanesulfonamido)-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide
PubChem CID93486317
Molecular FormulaC17H19ClN2O3S
Molecular Weight366.87 g/mol
Exact Mass366.08
IUPAC Name3-chloro-4-(methanesulfonamido)-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide
SMILESCc1ccc([C@H](C)NC(=O)c2ccc(NS(C)(=O)=O)c(Cl)c2)cc1
InChIInChI=1S/C17H19ClN2O3S/c1-11-4-6-13(7-5-11)12(2)19-17(21)14-8-9-16(15(18)10-14)20-24(3,22)23/h4-10,12,20H,1-3H3,(H,19,21)/t12-/m0/s1
InChIKeyAQQHGAHKCQRCJO-LBPRGKRZSA-N
XLogP3.51
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.87
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[(1S)-1-(4-ethoxyphenyl)ethyl]-4-(methanesulfonamido)benzamide
CID 38015785
3-(methanesulfonamido)-4-methyl-N-[(1R)-1-(4-propan-2-ylphenyl)ethyl]benzamide
CID 36614257
N-butan-2-yl-3-chloro-4-(methanesulfonamido)benzamide
CID 46763289
N-[1-(4-fluorophenyl)ethyl]-4-(methanesulfonamido)-3-methylbenzamide
CID 53281833
3-chloro-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 30379464
N-[1-(4-ethylphenyl)ethyl]-4-(methanesulfonamido)-3-methylbenzamide
CID 133228176
3,4-dimethyl-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide
CID 94195982
3-amino-4-chloro-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide
CID 81355966
4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide
CID 92676897
3-chloro-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 92671799
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-4-(methanesulfonamido)-3-methylbenzamide
CID 99130877
3-chloro-N-[(1R)-1-(4-methylphenyl)propyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 93486433

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(methanesulfonamido)-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide?
The IUPAC name of 3-chloro-4-(methanesulfonamido)-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide (CID 93486317) is 3-chloro-4-(methanesulfonamido)-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide.
What is the SMILES notation for 3-chloro-4-(methanesulfonamido)-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide?
The canonical SMILES for 3-chloro-4-(methanesulfonamido)-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide is Cc1ccc([C@H](C)NC(=O)c2ccc(NS(C)(=O)=O)c(Cl)c2)cc1.
What is the InChIKey of 3-chloro-4-(methanesulfonamido)-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide?
The InChIKey is AQQHGAHKCQRCJO-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H19ClN2O3S/c1-11-4-6-13(7-5-11)12(2)19-17(21)14-8-9-16(15(18)10-14)20-24(3,22)23/h4-10,12,20H,1-3H3,(H,19,21)/t12-/m0/s1.
What are the key properties of 3-chloro-4-(methanesulfonamido)-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide?
3-chloro-4-(methanesulfonamido)-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide has a molecular weight of 366.87 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(methanesulfonamido)-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide is sourced from PubChem (CID 93486317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).