N-(2-amino-1-cyclopropylethyl)-3-chloro-4-methylbenzenesulfonamide

C12H17ClN2O2S — CID 119986768

IUPACN-(2-amino-1-cyclopropylethyl)-3-chloro-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(CN)C2CC2)cc1Cl
InChIInChI=1S/C12H17ClN2O2S/c1-8-2-5-10(6-11(8)13)18(16,17)15-12(7-14)9-3-4-9/h2,5-6,9,12,15H,3-4,7,14H2,1H3
InChIKeyIEKBETGMDPIGQS-UHFFFAOYSA-N
MW288.80 g/mol
LogP1.66
Rot. Bonds5

About N-(2-amino-1-cyclopropylethyl)-3-chloro-4-methylbenzenesulfonamide

N-(2-amino-1-cyclopropylethyl)-3-chloro-4-methylbenzenesulfonamide (PubChem CID 119986768) has the molecular formula C12H17ClN2O2S and a molecular weight of 288.80 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-3-chloro-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-3-chloro-4-methylbenzenesulfonamide
PubChem CID119986768
Molecular FormulaC12H17ClN2O2S
Molecular Weight288.80 g/mol
Exact Mass288.07
IUPAC NameN-(2-amino-1-cyclopropylethyl)-3-chloro-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(CN)C2CC2)cc1Cl
InChIInChI=1S/C12H17ClN2O2S/c1-8-2-5-10(6-11(8)13)18(16,17)15-12(7-14)9-3-4-9/h2,5-6,9,12,15H,3-4,7,14H2,1H3
InChIKeyIEKBETGMDPIGQS-UHFFFAOYSA-N
XLogP1.66
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.80
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(4-Chloro-3-methylphenyl)sulfonyl]cyclohexylamine
CID 802852
N-(2-amino-2-methylpropyl)-3-chloro-4-cyanobenzenesulfonamide
CID 75431034
N-(2-aminoethyl)-3-chloro-4-methylbenzenesulfonamide
CID 86780550
N-(2-aminopropyl)-3-chloro-4-methylbenzenesulfonamide
CID 119050694
3-chloro-2-fluoro-N,4-di(propan-2-yl)benzenesulfonamide
CID 118185567
3-chloro-4-propan-2-yl-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide
CID 118185617
3-chloro-4-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide
CID 118188467
3-chloro-4-methyl-N-(1,1,1-trifluoropropan-2-yl)benzenesulfonamide
CID 123553811
3-chloro-2-fluoro-4-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide
CID 138658960
N-[(1S)-1-(2-chlorophenyl)ethyl]-4-methylbenzenesulfonamide
CID 8402279
N-(1-chloro-3-methylpentan-2-yl)-4-methylbenzenesulfonamide
CID 25268977
N-[1-(2-chlorophenyl)but-3-enyl]-4-methylbenzenesulfonamide
CID 101430610

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-3-chloro-4-methylbenzenesulfonamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-3-chloro-4-methylbenzenesulfonamide (CID 119986768) is N-(2-amino-1-cyclopropylethyl)-3-chloro-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-3-chloro-4-methylbenzenesulfonamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-3-chloro-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC(CN)C2CC2)cc1Cl.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-3-chloro-4-methylbenzenesulfonamide?
The InChIKey is IEKBETGMDPIGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2S/c1-8-2-5-10(6-11(8)13)18(16,17)15-12(7-14)9-3-4-9/h2,5-6,9,12,15H,3-4,7,14H2,1H3.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-3-chloro-4-methylbenzenesulfonamide?
N-(2-amino-1-cyclopropylethyl)-3-chloro-4-methylbenzenesulfonamide has a molecular weight of 288.80 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-3-chloro-4-methylbenzenesulfonamide is sourced from PubChem (CID 119986768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).