N-[(1S)-1-(4-chlorophenyl)ethyl]-2-methyl-5-sulfamoylbenzamide

C16H17ClN2O3S — CID 26012630

IUPACN-[(1S)-1-(4-chlorophenyl)ethyl]-2-methyl-5-sulfamoylbenzamide
SMILESCc1ccc(S(N)(=O)=O)cc1C(=O)N[C@@H](C)c1ccc(Cl)cc1
InChIInChI=1S/C16H17ClN2O3S/c1-10-3-8-14(23(18,21)22)9-15(10)16(20)19-11(2)12-4-6-13(17)7-5-12/h3-9,11H,1-2H3,(H,19,20)(H2,18,21,22)/t11-/m0/s1
InChIKeyLCUXIWFHOOCVTG-NSHDSACASA-N
MW352.84 g/mol
LogP2.79
Rot. Bonds4

About N-[(1S)-1-(4-chlorophenyl)ethyl]-2-methyl-5-sulfamoylbenzamide

N-[(1S)-1-(4-chlorophenyl)ethyl]-2-methyl-5-sulfamoylbenzamide (PubChem CID 26012630) has the molecular formula C16H17ClN2O3S and a molecular weight of 352.84 g/mol. Its IUPAC name is N-[(1S)-1-(4-chlorophenyl)ethyl]-2-methyl-5-sulfamoylbenzamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-chlorophenyl)ethyl]-2-methyl-5-sulfamoylbenzamide
PubChem CID26012630
Molecular FormulaC16H17ClN2O3S
Molecular Weight352.84 g/mol
Exact Mass352.06
IUPAC NameN-[(1S)-1-(4-chlorophenyl)ethyl]-2-methyl-5-sulfamoylbenzamide
SMILESCc1ccc(S(N)(=O)=O)cc1C(=O)N[C@@H](C)c1ccc(Cl)cc1
InChIInChI=1S/C16H17ClN2O3S/c1-10-3-8-14(23(18,21)22)9-15(10)16(20)19-11(2)12-4-6-13(17)7-5-12/h3-9,11H,1-2H3,(H,19,20)(H2,18,21,22)/t11-/m0/s1
InChIKeyLCUXIWFHOOCVTG-NSHDSACASA-N
XLogP2.79
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.84
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[(1R)-1-(4-phenylphenyl)ethyl]-5-sulfamoylbenzamide
CID 27782394
5-chloro-2-fluoro-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]benzamide
CID 27759607
2-methyl-5-sulfamoyl-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 27886555
2-methyl-N-(3-methylbutan-2-yl)-5-sulfamoylbenzamide
CID 46651162
2,4-dichloro-5-fluoro-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 78811687
2-methyl-N-pentan-2-yl-5-sulfamoylbenzamide
CID 46522108
2-methyl-N-[(1S)-1-pyridin-2-ylethyl]-5-sulfamoylbenzamide
CID 35943097
1-(2,4-dichlorophenyl)-3-[1-(4-sulfamoylphenyl)ethyl]urea
CID 75811590
2-methyl-N-(6-methylheptan-2-yl)-5-sulfamoylbenzamide
CID 46515920
6-chloro-2-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]quinoline-3-carboxamide
CID 55474224
N-[1-(3,4-difluorophenyl)ethyl]-5-(ethylsulfamoyl)-2-methylbenzamide
CID 43003466
N-(1-cyclopropylpropan-2-yl)-2-methyl-5-sulfamoylbenzamide
CID 63994388

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-chlorophenyl)ethyl]-2-methyl-5-sulfamoylbenzamide?
The IUPAC name of N-[(1S)-1-(4-chlorophenyl)ethyl]-2-methyl-5-sulfamoylbenzamide (CID 26012630) is N-[(1S)-1-(4-chlorophenyl)ethyl]-2-methyl-5-sulfamoylbenzamide.
What is the SMILES notation for N-[(1S)-1-(4-chlorophenyl)ethyl]-2-methyl-5-sulfamoylbenzamide?
The canonical SMILES for N-[(1S)-1-(4-chlorophenyl)ethyl]-2-methyl-5-sulfamoylbenzamide is Cc1ccc(S(N)(=O)=O)cc1C(=O)N[C@@H](C)c1ccc(Cl)cc1.
What is the InChIKey of N-[(1S)-1-(4-chlorophenyl)ethyl]-2-methyl-5-sulfamoylbenzamide?
The InChIKey is LCUXIWFHOOCVTG-NSHDSACASA-N. The full InChI is InChI=1S/C16H17ClN2O3S/c1-10-3-8-14(23(18,21)22)9-15(10)16(20)19-11(2)12-4-6-13(17)7-5-12/h3-9,11H,1-2H3,(H,19,20)(H2,18,21,22)/t11-/m0/s1.
What are the key properties of N-[(1S)-1-(4-chlorophenyl)ethyl]-2-methyl-5-sulfamoylbenzamide?
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-methyl-5-sulfamoylbenzamide has a molecular weight of 352.84 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-chlorophenyl)ethyl]-2-methyl-5-sulfamoylbenzamide is sourced from PubChem (CID 26012630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).