3-amino-5-chloro-N-cyclopentyl-N,4-dimethylbenzenesulfonamide

C13H19ClN2O2S — CID 43266875

IUPAC3-amino-5-chloro-N-cyclopentyl-N,4-dimethylbenzenesulfonamide
SMILESCc1c(N)cc(S(=O)(=O)N(C)C2CCCC2)cc1Cl
InChIInChI=1S/C13H19ClN2O2S/c1-9-12(14)7-11(8-13(9)15)19(17,18)16(2)10-5-3-4-6-10/h7-8,10H,3-6,15H2,1-2H3
InChIKeyZZWKSISLNVQBAB-UHFFFAOYSA-N
MW302.83 g/mol
LogP2.79
Rot. Bonds3

About 3-amino-5-chloro-N-cyclopentyl-N,4-dimethylbenzenesulfonamide

3-amino-5-chloro-N-cyclopentyl-N,4-dimethylbenzenesulfonamide (PubChem CID 43266875) has the molecular formula C13H19ClN2O2S and a molecular weight of 302.83 g/mol. Its IUPAC name is 3-amino-5-chloro-N-cyclopentyl-N,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-chloro-N-cyclopentyl-N,4-dimethylbenzenesulfonamide
PubChem CID43266875
Molecular FormulaC13H19ClN2O2S
Molecular Weight302.83 g/mol
Exact Mass302.09
IUPAC Name3-amino-5-chloro-N-cyclopentyl-N,4-dimethylbenzenesulfonamide
SMILESCc1c(N)cc(S(=O)(=O)N(C)C2CCCC2)cc1Cl
InChIInChI=1S/C13H19ClN2O2S/c1-9-12(14)7-11(8-13(9)15)19(17,18)16(2)10-5-3-4-6-10/h7-8,10H,3-6,15H2,1-2H3
InChIKeyZZWKSISLNVQBAB-UHFFFAOYSA-N
XLogP2.79
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.83
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-5-chloro-N,4-dimethyl-N-(oxan-4-yl)benzenesulfonamide
CID 43610678
3-amino-5-chloro-N-(cyclopropylmethyl)-N,4-dimethylbenzenesulfonamide
CID 54904750
3-amino-5-chloro-N-cyclobutyl-N,2-dimethylbenzenesulfonamide
CID 114380287
3-amino-4-chloro-N-cyclopropyl-N-methylbenzenesulfonamide
CID 43264640
3-amino-5-chloro-N-cyclopropyl-4-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 61113120
3-amino-N-butyl-5-chloro-N-cyclopropyl-4-methylbenzenesulfonamide
CID 61113158
3-amino-N-cyclopentyl-N,2,5,6-tetramethylbenzenesulfonamide
CID 106503761
3-amino-5-chloro-N,4-dimethyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 63879071
3-amino-N-cyclohexyl-4-ethyl-N-methylbenzenesulfonamide
CID 43257349
3-amino-5-chloro-N-[2-[cyclopropyl(methyl)amino]ethyl]-4-methylbenzenesulfonamide
CID 62977381
3-amino-5-chloro-N-(cyclohexylmethyl)-4-methylbenzenesulfonamide
CID 43371503
4-amino-2-chloro-N-cyclopentyl-N-methylbenzenesulfonamide
CID 43266881

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-N-cyclopentyl-N,4-dimethylbenzenesulfonamide?
The IUPAC name of 3-amino-5-chloro-N-cyclopentyl-N,4-dimethylbenzenesulfonamide (CID 43266875) is 3-amino-5-chloro-N-cyclopentyl-N,4-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-amino-5-chloro-N-cyclopentyl-N,4-dimethylbenzenesulfonamide?
The canonical SMILES for 3-amino-5-chloro-N-cyclopentyl-N,4-dimethylbenzenesulfonamide is Cc1c(N)cc(S(=O)(=O)N(C)C2CCCC2)cc1Cl.
What is the InChIKey of 3-amino-5-chloro-N-cyclopentyl-N,4-dimethylbenzenesulfonamide?
The InChIKey is ZZWKSISLNVQBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2S/c1-9-12(14)7-11(8-13(9)15)19(17,18)16(2)10-5-3-4-6-10/h7-8,10H,3-6,15H2,1-2H3.
What are the key properties of 3-amino-5-chloro-N-cyclopentyl-N,4-dimethylbenzenesulfonamide?
3-amino-5-chloro-N-cyclopentyl-N,4-dimethylbenzenesulfonamide has a molecular weight of 302.83 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-chloro-N-cyclopentyl-N,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 43266875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).