N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-methylbutanamide

C17H19ClN2O3S — CID 9415219

IUPACN-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C17H19ClN2O3S/c1-12(2)10-17(21)19-13-6-5-7-14(11-13)24(22,23)20-16-9-4-3-8-15(16)18/h3-9,11-12,20H,10H2,1-2H3,(H,19,21)
InChIKeyYSAYPURSKGAGNO-UHFFFAOYSA-N
MW366.87 g/mol
LogP4.13
Rot. Bonds6

About N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-methylbutanamide

N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-methylbutanamide (PubChem CID 9415219) has the molecular formula C17H19ClN2O3S and a molecular weight of 366.87 g/mol. Its IUPAC name is N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-methylbutanamide
PubChem CID9415219
Molecular FormulaC17H19ClN2O3S
Molecular Weight366.87 g/mol
Exact Mass366.08
IUPAC NameN-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C17H19ClN2O3S/c1-12(2)10-17(21)19-13-6-5-7-14(11-13)24(22,23)20-16-9-4-3-8-15(16)18/h3-9,11-12,20H,10H2,1-2H3,(H,19,21)
InChIKeyYSAYPURSKGAGNO-UHFFFAOYSA-N
XLogP4.13
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.87
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(4-fluorophenyl)butanamide
CID 55921642
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-2-[methyl(methylsulfonyl)amino]acetamide
CID 55617002
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-2-phenoxyacetamide
CID 26593129
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-2-cyclohexylacetamide
CID 29373732
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-methylbenzamide
CID 26593186
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide
CID 9068938
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(4-ethoxyphenyl)propanamide
CID 60571618
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 29202643
2,5-dichloro-N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]benzamide
CID 26593136
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(4-fluorophenyl)sulfanylpropanamide
CID 30282664
2-chloro-N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-6-fluorobenzamide
CID 36717455
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide
CID 34973860

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-methylbutanamide?
The IUPAC name of N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-methylbutanamide (CID 9415219) is N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-methylbutanamide.
What is the SMILES notation for N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-methylbutanamide?
The canonical SMILES for N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-methylbutanamide is CC(C)CC(=O)Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1.
What is the InChIKey of N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-methylbutanamide?
The InChIKey is YSAYPURSKGAGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3S/c1-12(2)10-17(21)19-13-6-5-7-14(11-13)24(22,23)20-16-9-4-3-8-15(16)18/h3-9,11-12,20H,10H2,1-2H3,(H,19,21).
What are the key properties of N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-methylbutanamide?
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-methylbutanamide has a molecular weight of 366.87 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-methylbutanamide is sourced from PubChem (CID 9415219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).