2-chloro-N-[3-(cyclopropylsulfamoyl)phenyl]-4-methylbenzenesulfonamide

C16H17ClN2O4S2 — CID 24629235

IUPAC2-chloro-N-[3-(cyclopropylsulfamoyl)phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)c(Cl)c1
InChIInChI=1S/C16H17ClN2O4S2/c1-11-5-8-16(15(17)9-11)25(22,23)19-13-3-2-4-14(10-13)24(20,21)18-12-6-7-12/h2-5,8-10,12,18-19H,6-7H2,1H3
InChIKeyNOAKSXIARCIAME-UHFFFAOYSA-N
MW400.91 g/mol
LogP2.89
Rot. Bonds6

About 2-chloro-N-[3-(cyclopropylsulfamoyl)phenyl]-4-methylbenzenesulfonamide

2-chloro-N-[3-(cyclopropylsulfamoyl)phenyl]-4-methylbenzenesulfonamide (PubChem CID 24629235) has the molecular formula C16H17ClN2O4S2 and a molecular weight of 400.91 g/mol. Its IUPAC name is 2-chloro-N-[3-(cyclopropylsulfamoyl)phenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[3-(cyclopropylsulfamoyl)phenyl]-4-methylbenzenesulfonamide
PubChem CID24629235
Molecular FormulaC16H17ClN2O4S2
Molecular Weight400.91 g/mol
Exact Mass400.03
IUPAC Name2-chloro-N-[3-(cyclopropylsulfamoyl)phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)c(Cl)c1
InChIInChI=1S/C16H17ClN2O4S2/c1-11-5-8-16(15(17)9-11)25(22,23)19-13-3-2-4-14(10-13)24(20,21)18-12-6-7-12/h2-5,8-10,12,18-19H,6-7H2,1H3
InChIKeyNOAKSXIARCIAME-UHFFFAOYSA-N
XLogP2.89
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.91
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-(3-chloro-4-methylphenyl)-3-N-cyclopropylbenzene-1,3-disulfonamide
CID 33394628
3-N-[3-(cyclopropylsulfamoyl)phenyl]benzene-1,3-disulfonamide
CID 18284788
2-chloro-N-(1-cyclopropylpiperidin-4-yl)-4-methylbenzenesulfonamide
CID 32681639
3-[(2-chloro-4-methylphenyl)sulfonylamino]-N,N-dimethylbenzamide
CID 24629332
N-cyclooctyl-3-methylbenzenesulfonamide
CID 2497018
N-[4-[(2-chloro-4-methylphenyl)sulfonylamino]phenyl]cyclopropanecarboxamide
CID 32677158
N-[3-(cyclopropylsulfamoyl)phenyl]formamide
CID 64992221
2-chloro-4-methyl-N-(3-pyrazol-1-ylphenyl)benzenesulfonamide
CID 47034188
3-[2-(4-chlorophenyl)ethenylsulfonylamino]-N-cyclopropylbenzenesulfonamide
CID 71835094
2-chloro-N-(3-fluoro-4-methylphenyl)-4-methylbenzenesulfonamide
CID 32673670
3-tert-butyl-N-cyclopropylbenzenesulfonamide
CID 59019434
2-chloro-N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-4-methylbenzenesulfonamide
CID 24629196

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(cyclopropylsulfamoyl)phenyl]-4-methylbenzenesulfonamide?
The IUPAC name of 2-chloro-N-[3-(cyclopropylsulfamoyl)phenyl]-4-methylbenzenesulfonamide (CID 24629235) is 2-chloro-N-[3-(cyclopropylsulfamoyl)phenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[3-(cyclopropylsulfamoyl)phenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for 2-chloro-N-[3-(cyclopropylsulfamoyl)phenyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)c(Cl)c1.
What is the InChIKey of 2-chloro-N-[3-(cyclopropylsulfamoyl)phenyl]-4-methylbenzenesulfonamide?
The InChIKey is NOAKSXIARCIAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O4S2/c1-11-5-8-16(15(17)9-11)25(22,23)19-13-3-2-4-14(10-13)24(20,21)18-12-6-7-12/h2-5,8-10,12,18-19H,6-7H2,1H3.
What are the key properties of 2-chloro-N-[3-(cyclopropylsulfamoyl)phenyl]-4-methylbenzenesulfonamide?
2-chloro-N-[3-(cyclopropylsulfamoyl)phenyl]-4-methylbenzenesulfonamide has a molecular weight of 400.91 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(cyclopropylsulfamoyl)phenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 24629235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).