N-(3-chloro-2-methylphenyl)piperazine-1-sulfonamide

C11H16ClN3O2S — CID 28775732

IUPACN-(3-chloro-2-methylphenyl)piperazine-1-sulfonamide
SMILESCc1c(Cl)cccc1NS(=O)(=O)N1CCNCC1
InChIInChI=1S/C11H16ClN3O2S/c1-9-10(12)3-2-4-11(9)14-18(16,17)15-7-5-13-6-8-15/h2-4,13-14H,5-8H2,1H3
InChIKeyKYYURQSMLNUVRB-UHFFFAOYSA-N
MW289.79 g/mol
LogP1.21
Rot. Bonds3

About N-(3-chloro-2-methylphenyl)piperazine-1-sulfonamide

N-(3-chloro-2-methylphenyl)piperazine-1-sulfonamide (PubChem CID 28775732) has the molecular formula C11H16ClN3O2S and a molecular weight of 289.79 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)piperazine-1-sulfonamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)piperazine-1-sulfonamide
PubChem CID28775732
Molecular FormulaC11H16ClN3O2S
Molecular Weight289.79 g/mol
Exact Mass289.07
IUPAC NameN-(3-chloro-2-methylphenyl)piperazine-1-sulfonamide
SMILESCc1c(Cl)cccc1NS(=O)(=O)N1CCNCC1
InChIInChI=1S/C11H16ClN3O2S/c1-9-10(12)3-2-4-11(9)14-18(16,17)15-7-5-13-6-8-15/h2-4,13-14H,5-8H2,1H3
InChIKeyKYYURQSMLNUVRB-UHFFFAOYSA-N
XLogP1.21
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.79
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-chloro-2-methylphenyl)sulfamoyl]piperidine-4-carboxylic acid
CID 60859391
N-(3-chloro-2-methylphenyl)methanesulfonamide
CID 669020
3-amino-N-(3-chloro-2-methylphenyl)-4-(1,4-diazepan-1-yl)benzenesulfonamide;hydrochloride
CID 10224673
N-(2,4-dimethylphenyl)piperazine-1-sulfonamide
CID 28775571
N-(2-pyrrolidin-1-yl-3-pyridinyl)piperazine-1-sulfonamide
CID 61253505
N-(4-methyl-3-pyridinyl)piperazine-1-sulfonamide
CID 55203430
N-(5-chloroquinolin-8-yl)piperazine-1-sulfonamide
CID 61253332
N-(1H-indazol-4-yl)piperazine-1-sulfonamide
CID 61254561
N-[(2-chlorophenyl)methyl]piperazine-1-sulfonamide
CID 28775763
3-methyl-4-(piperazin-1-ylsulfonylamino)benzoic acid
CID 61254687
N-(5-chloro-2-ethoxyphenyl)piperazine-1-sulfonamide
CID 61254178
N-(3-chloro-2-methylphenyl)-4-fluorobenzenesulfonamide
CID 711089

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)piperazine-1-sulfonamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)piperazine-1-sulfonamide (CID 28775732) is N-(3-chloro-2-methylphenyl)piperazine-1-sulfonamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)piperazine-1-sulfonamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)piperazine-1-sulfonamide is Cc1c(Cl)cccc1NS(=O)(=O)N1CCNCC1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)piperazine-1-sulfonamide?
The InChIKey is KYYURQSMLNUVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O2S/c1-9-10(12)3-2-4-11(9)14-18(16,17)15-7-5-13-6-8-15/h2-4,13-14H,5-8H2,1H3.
What are the key properties of N-(3-chloro-2-methylphenyl)piperazine-1-sulfonamide?
N-(3-chloro-2-methylphenyl)piperazine-1-sulfonamide has a molecular weight of 289.79 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)piperazine-1-sulfonamide is sourced from PubChem (CID 28775732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).