4-chloro-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-3-sulfamoylbenzamide

C17H19ClN2O4S — CID 9262498

IUPAC4-chloro-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-3-sulfamoylbenzamide
SMILESCOc1ccc(C)cc1[C@H](C)NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1
InChIInChI=1S/C17H19ClN2O4S/c1-10-4-7-15(24-3)13(8-10)11(2)20-17(21)12-5-6-14(18)16(9-12)25(19,22)23/h4-9,11H,1-3H3,(H,20,21)(H2,19,22,23)/t11-/m0/s1
InChIKeyWHQJJYJXWWPPAZ-NSHDSACASA-N
MW382.87 g/mol
LogP2.80
Rot. Bonds5

About 4-chloro-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-3-sulfamoylbenzamide

4-chloro-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-3-sulfamoylbenzamide (PubChem CID 9262498) has the molecular formula C17H19ClN2O4S and a molecular weight of 382.87 g/mol. Its IUPAC name is 4-chloro-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-3-sulfamoylbenzamide.

Molecular Properties

Compound Name4-chloro-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-3-sulfamoylbenzamide
PubChem CID9262498
Molecular FormulaC17H19ClN2O4S
Molecular Weight382.87 g/mol
Exact Mass382.08
IUPAC Name4-chloro-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-3-sulfamoylbenzamide
SMILESCOc1ccc(C)cc1[C@H](C)NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1
InChIInChI=1S/C17H19ClN2O4S/c1-10-4-7-15(24-3)13(8-10)11(2)20-17(21)12-5-6-14(18)16(9-12)25(19,22)23/h4-9,11H,1-3H3,(H,20,21)(H2,19,22,23)/t11-/m0/s1
InChIKeyWHQJJYJXWWPPAZ-NSHDSACASA-N
XLogP2.80
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.87
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[1-(2,4-dimethoxyphenyl)ethyl]-3-sulfamoylbenzamide
CID 45054358
N-[1-(2-methoxy-5-methylphenyl)ethyl]-3,4-dimethylbenzamide
CID 84966349
4-(methanesulfonamido)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 42120084
4-(methanesulfonamido)-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 47018462
2-chloro-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 26009266
N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-3-methylsulfonylbenzamide
CID 41277485
N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-4-(trifluoromethyl)benzamide
CID 9048385
N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 9262400
N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 9262557
3,5-difluoro-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 9262765
N-[1-(2-chlorophenyl)ethyl]-4-methoxy-3-(methylsulfamoyl)benzamide
CID 51163493
4-cyano-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 9262341

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-3-sulfamoylbenzamide?
The IUPAC name of 4-chloro-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-3-sulfamoylbenzamide (CID 9262498) is 4-chloro-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-3-sulfamoylbenzamide.
What is the SMILES notation for 4-chloro-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-3-sulfamoylbenzamide?
The canonical SMILES for 4-chloro-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-3-sulfamoylbenzamide is COc1ccc(C)cc1[C@H](C)NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1.
What is the InChIKey of 4-chloro-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-3-sulfamoylbenzamide?
The InChIKey is WHQJJYJXWWPPAZ-NSHDSACASA-N. The full InChI is InChI=1S/C17H19ClN2O4S/c1-10-4-7-15(24-3)13(8-10)11(2)20-17(21)12-5-6-14(18)16(9-12)25(19,22)23/h4-9,11H,1-3H3,(H,20,21)(H2,19,22,23)/t11-/m0/s1.
What are the key properties of 4-chloro-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-3-sulfamoylbenzamide?
4-chloro-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-3-sulfamoylbenzamide has a molecular weight of 382.87 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-3-sulfamoylbenzamide is sourced from PubChem (CID 9262498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).