3-amino-5-chloro-N-cyclobutyl-N,2-dimethylbenzenesulfonamide

C12H17ClN2O2S — CID 114380287

IUPAC3-amino-5-chloro-N-cyclobutyl-N,2-dimethylbenzenesulfonamide
SMILESCc1c(N)cc(Cl)cc1S(=O)(=O)N(C)C1CCC1
InChIInChI=1S/C12H17ClN2O2S/c1-8-11(14)6-9(13)7-12(8)18(16,17)15(2)10-4-3-5-10/h6-7,10H,3-5,14H2,1-2H3
InChIKeyQDDYUUQOAAOAKZ-UHFFFAOYSA-N
MW288.80 g/mol
LogP2.40
Rot. Bonds3

About 3-amino-5-chloro-N-cyclobutyl-N,2-dimethylbenzenesulfonamide

3-amino-5-chloro-N-cyclobutyl-N,2-dimethylbenzenesulfonamide (PubChem CID 114380287) has the molecular formula C12H17ClN2O2S and a molecular weight of 288.80 g/mol. Its IUPAC name is 3-amino-5-chloro-N-cyclobutyl-N,2-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-chloro-N-cyclobutyl-N,2-dimethylbenzenesulfonamide
PubChem CID114380287
Molecular FormulaC12H17ClN2O2S
Molecular Weight288.80 g/mol
Exact Mass288.07
IUPAC Name3-amino-5-chloro-N-cyclobutyl-N,2-dimethylbenzenesulfonamide
SMILESCc1c(N)cc(Cl)cc1S(=O)(=O)N(C)C1CCC1
InChIInChI=1S/C12H17ClN2O2S/c1-8-11(14)6-9(13)7-12(8)18(16,17)15(2)10-4-3-5-10/h6-7,10H,3-5,14H2,1-2H3
InChIKeyQDDYUUQOAAOAKZ-UHFFFAOYSA-N
XLogP2.40
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.80
LogP ≤ 52.40
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-(2-hydroxycyclohexyl)-N,2-dimethylbenzenesulfonamide
CID 102631244
3-amino-5-chloro-N-cyclohexyl-N-ethyl-2-methylbenzenesulfonamide
CID 114378564
3-amino-5-chloro-N-(cyclobutylmethyl)-N-ethyl-2-methylbenzenesulfonamide
CID 107396992
3-amino-5-chloro-N-cyclopentyl-N,4-dimethylbenzenesulfonamide
CID 43266875
5-chloro-N-cyclopropyl-N,2-dimethyl-3-(methylaminomethyl)benzenesulfonamide
CID 82884636
3-amino-5-chloro-2-fluoro-N-methyl-N-(4-methylcyclohexyl)benzenesulfonamide
CID 103050830
3-amino-N,2,5-trimethyl-N-(3-methylcyclohexyl)benzenesulfonamide
CID 79885487
5-amino-N-cyclopropyl-N,2,3-trimethylbenzenesulfonamide
CID 43264630
3-amino-N-cyclopentyl-N,2,5,6-tetramethylbenzenesulfonamide
CID 106503761
2-amino-N-cyclopentyl-N,4-dimethylbenzenesulfonamide
CID 43266857
2-[(3-amino-5-chloro-2-methylphenyl)sulfonyl-methylamino]acetamide
CID 114378855
5-amino-4-bromo-N-cyclopentyl-N,2-dimethylbenzenesulfonamide
CID 114625046

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-N-cyclobutyl-N,2-dimethylbenzenesulfonamide?
The IUPAC name of 3-amino-5-chloro-N-cyclobutyl-N,2-dimethylbenzenesulfonamide (CID 114380287) is 3-amino-5-chloro-N-cyclobutyl-N,2-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-amino-5-chloro-N-cyclobutyl-N,2-dimethylbenzenesulfonamide?
The canonical SMILES for 3-amino-5-chloro-N-cyclobutyl-N,2-dimethylbenzenesulfonamide is Cc1c(N)cc(Cl)cc1S(=O)(=O)N(C)C1CCC1.
What is the InChIKey of 3-amino-5-chloro-N-cyclobutyl-N,2-dimethylbenzenesulfonamide?
The InChIKey is QDDYUUQOAAOAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2S/c1-8-11(14)6-9(13)7-12(8)18(16,17)15(2)10-4-3-5-10/h6-7,10H,3-5,14H2,1-2H3.
What are the key properties of 3-amino-5-chloro-N-cyclobutyl-N,2-dimethylbenzenesulfonamide?
3-amino-5-chloro-N-cyclobutyl-N,2-dimethylbenzenesulfonamide has a molecular weight of 288.80 g/mol, XLogP of 2.40, 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-cyclobutyl-N,2-dimethylbenzenesulfonamide is sourced from PubChem (CID 114380287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).