2-amino-4-chloro-N-cyclobutylbenzenesulfonamide

C10H13ClN2O2S — CID 62415700

IUPAC2-amino-4-chloro-N-cyclobutylbenzenesulfonamide
SMILESNc1cc(Cl)ccc1S(=O)(=O)NC1CCC1
InChIInChI=1S/C10H13ClN2O2S/c11-7-4-5-10(9(12)6-7)16(14,15)13-8-2-1-3-8/h4-6,8,13H,1-3,12H2
InChIKeyLLBPWJZZOJMSPA-UHFFFAOYSA-N
MW260.75 g/mol
LogP1.75
Rot. Bonds3

About 2-amino-4-chloro-N-cyclobutylbenzenesulfonamide

2-amino-4-chloro-N-cyclobutylbenzenesulfonamide (PubChem CID 62415700) has the molecular formula C10H13ClN2O2S and a molecular weight of 260.75 g/mol. Its IUPAC name is 2-amino-4-chloro-N-cyclobutylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-chloro-N-cyclobutylbenzenesulfonamide
PubChem CID62415700
Molecular FormulaC10H13ClN2O2S
Molecular Weight260.75 g/mol
Exact Mass260.04
IUPAC Name2-amino-4-chloro-N-cyclobutylbenzenesulfonamide
SMILESNc1cc(Cl)ccc1S(=O)(=O)NC1CCC1
InChIInChI=1S/C10H13ClN2O2S/c11-7-4-5-10(9(12)6-7)16(14,15)13-8-2-1-3-8/h4-6,8,13H,1-3,12H2
InChIKeyLLBPWJZZOJMSPA-UHFFFAOYSA-N
XLogP1.75
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.75
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-cyclobutyl-4-methylbenzenesulfonamide
CID 62414526
2-amino-4-chloro-N-(1-ethylpiperidin-4-yl)benzenesulfonamide
CID 61125265
3-amino-4-(cyclobutylsulfamoyl)benzoic acid
CID 81471279
3-amino-4-(cyclobutylsulfamoyl)benzamide
CID 81471203
5-chloro-N-cyclopentyl-2-fluorobenzenesulfonamide
CID 110759330
2-amino-N-cyclobutylbenzenesulfonamide
CID 62414720
2-amino-N-cycloheptylbenzenesulfonamide
CID 28590104
N-(azepan-4-yl)-4-chloro-2-fluorobenzenesulfonamide
CID 107172937
5-chloro-2-cycloheptylsulfonylaniline
CID 82935028
3-amino-4-(cyclopropylsulfamoyl)benzoic acid
CID 81471410
N-(4-aminocyclohexyl)-4-chloro-2-methylbenzenesulfonamide;hydrochloride
CID 119970980
3-amino-N-cyclobutyl-2,5-dimethylbenzenesulfonamide
CID 79889241

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-chloro-N-cyclobutylbenzenesulfonamide?
The IUPAC name of 2-amino-4-chloro-N-cyclobutylbenzenesulfonamide (CID 62415700) is 2-amino-4-chloro-N-cyclobutylbenzenesulfonamide.
What is the SMILES notation for 2-amino-4-chloro-N-cyclobutylbenzenesulfonamide?
The canonical SMILES for 2-amino-4-chloro-N-cyclobutylbenzenesulfonamide is Nc1cc(Cl)ccc1S(=O)(=O)NC1CCC1.
What is the InChIKey of 2-amino-4-chloro-N-cyclobutylbenzenesulfonamide?
The InChIKey is LLBPWJZZOJMSPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2S/c11-7-4-5-10(9(12)6-7)16(14,15)13-8-2-1-3-8/h4-6,8,13H,1-3,12H2.
What are the key properties of 2-amino-4-chloro-N-cyclobutylbenzenesulfonamide?
2-amino-4-chloro-N-cyclobutylbenzenesulfonamide has a molecular weight of 260.75 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-chloro-N-cyclobutylbenzenesulfonamide is sourced from PubChem (CID 62415700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).