2-chloro-4-cyano-N-cyclopropyl-N-(3-methylbutyl)benzenesulfonamide

C15H19ClN2O2S — CID 103989018

IUPAC2-chloro-4-cyano-N-cyclopropyl-N-(3-methylbutyl)benzenesulfonamide
SMILESCC(C)CCN(C1CC1)S(=O)(=O)c1ccc(C#N)cc1Cl
InChIInChI=1S/C15H19ClN2O2S/c1-11(2)7-8-18(13-4-5-13)21(19,20)15-6-3-12(10-17)9-14(15)16/h3,6,9,11,13H,4-5,7-8H2,1-2H3
InChIKeyLHCAQBXUFVABRB-UHFFFAOYSA-N
MW326.85 g/mol
LogP3.41
Rot. Bonds6

About 2-chloro-4-cyano-N-cyclopropyl-N-(3-methylbutyl)benzenesulfonamide

2-chloro-4-cyano-N-cyclopropyl-N-(3-methylbutyl)benzenesulfonamide (PubChem CID 103989018) has the molecular formula C15H19ClN2O2S and a molecular weight of 326.85 g/mol. Its IUPAC name is 2-chloro-4-cyano-N-cyclopropyl-N-(3-methylbutyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-4-cyano-N-cyclopropyl-N-(3-methylbutyl)benzenesulfonamide
PubChem CID103989018
Molecular FormulaC15H19ClN2O2S
Molecular Weight326.85 g/mol
Exact Mass326.09
IUPAC Name2-chloro-4-cyano-N-cyclopropyl-N-(3-methylbutyl)benzenesulfonamide
SMILESCC(C)CCN(C1CC1)S(=O)(=O)c1ccc(C#N)cc1Cl
InChIInChI=1S/C15H19ClN2O2S/c1-11(2)7-8-18(13-4-5-13)21(19,20)15-6-3-12(10-17)9-14(15)16/h3,6,9,11,13H,4-5,7-8H2,1-2H3
InChIKeyLHCAQBXUFVABRB-UHFFFAOYSA-N
XLogP3.41
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.85
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-cyano-N-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 103989140
2-chloro-4-cyano-N-(2-cyanoethyl)-N-(2-methylpropyl)benzenesulfonamide
CID 103989351
2-chloro-4-cyano-N-ethyl-N-propan-2-ylbenzenesulfonamide
CID 103989310
3-chloro-4-(4-propan-2-ylpiperidin-1-yl)sulfonylbenzonitrile
CID 58394684
2-chloro-5-cyano-N-cyclohexyl-N-ethylbenzenesulfonamide
CID 80697368
5-amino-N-cyclopropyl-2-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 61112746
2-chloro-4-cyano-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide
CID 103989122
2-amino-N-cyclopropyl-4-methoxy-N-(3-methylbutyl)benzenesulfonamide
CID 61113499
6-cyano-N-cyclopropyl-N-(3-methylbutyl)pyridine-3-sulfonamide
CID 115602563
3-amino-5-chloro-N-cyclopropyl-4-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 61113120
2-chloro-5-cyano-N-(cyanomethyl)-N-cyclopentylbenzenesulfonamide
CID 80697349
2-chloro-4-cyano-N-(1-cyclopropylethyl)benzenesulfonamide
CID 103988900

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-cyano-N-cyclopropyl-N-(3-methylbutyl)benzenesulfonamide?
The IUPAC name of 2-chloro-4-cyano-N-cyclopropyl-N-(3-methylbutyl)benzenesulfonamide (CID 103989018) is 2-chloro-4-cyano-N-cyclopropyl-N-(3-methylbutyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-4-cyano-N-cyclopropyl-N-(3-methylbutyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-4-cyano-N-cyclopropyl-N-(3-methylbutyl)benzenesulfonamide is CC(C)CCN(C1CC1)S(=O)(=O)c1ccc(C#N)cc1Cl.
What is the InChIKey of 2-chloro-4-cyano-N-cyclopropyl-N-(3-methylbutyl)benzenesulfonamide?
The InChIKey is LHCAQBXUFVABRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2S/c1-11(2)7-8-18(13-4-5-13)21(19,20)15-6-3-12(10-17)9-14(15)16/h3,6,9,11,13H,4-5,7-8H2,1-2H3.
What are the key properties of 2-chloro-4-cyano-N-cyclopropyl-N-(3-methylbutyl)benzenesulfonamide?
2-chloro-4-cyano-N-cyclopropyl-N-(3-methylbutyl)benzenesulfonamide has a molecular weight of 326.85 g/mol, XLogP of 3.41, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-cyano-N-cyclopropyl-N-(3-methylbutyl)benzenesulfonamide is sourced from PubChem (CID 103989018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).