4-amino-2-chloro-N-(4-methylpentan-2-yl)benzenesulfonamide

C12H19ClN2O2S — CID 43372042

IUPAC4-amino-2-chloro-N-(4-methylpentan-2-yl)benzenesulfonamide
SMILESCC(C)CC(C)NS(=O)(=O)c1ccc(N)cc1Cl
InChIInChI=1S/C12H19ClN2O2S/c1-8(2)6-9(3)15-18(16,17)12-5-4-10(14)7-11(12)13/h4-5,7-9,15H,6,14H2,1-3H3
InChIKeyAWBCARBEGZDYOG-UHFFFAOYSA-N
MW290.82 g/mol
LogP2.64
Rot. Bonds5

About 4-amino-2-chloro-N-(4-methylpentan-2-yl)benzenesulfonamide

4-amino-2-chloro-N-(4-methylpentan-2-yl)benzenesulfonamide (PubChem CID 43372042) has the molecular formula C12H19ClN2O2S and a molecular weight of 290.82 g/mol. Its IUPAC name is 4-amino-2-chloro-N-(4-methylpentan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-chloro-N-(4-methylpentan-2-yl)benzenesulfonamide
PubChem CID43372042
Molecular FormulaC12H19ClN2O2S
Molecular Weight290.82 g/mol
Exact Mass290.09
IUPAC Name4-amino-2-chloro-N-(4-methylpentan-2-yl)benzenesulfonamide
SMILESCC(C)CC(C)NS(=O)(=O)c1ccc(N)cc1Cl
InChIInChI=1S/C12H19ClN2O2S/c1-8(2)6-9(3)15-18(16,17)12-5-4-10(14)7-11(12)13/h4-5,7-9,15H,6,14H2,1-3H3
InChIKeyAWBCARBEGZDYOG-UHFFFAOYSA-N
XLogP2.64
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.82
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-amino-2-chloro-N-(4-methylpentan-2-yl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-2-chloro-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
CID 63291622
5-amino-2-ethoxy-N-(4-methylpentan-2-yl)benzenesulfonamide
CID 43662989
4-amino-2-chloro-N-[1-(dimethylamino)-3-methylbutan-2-yl]benzenesulfonamide
CID 61476056
4-amino-2-chloro-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide
CID 61479552
methyl 4-amino-2-(4-methylpentan-2-ylsulfamoyl)benzoate
CID 102930924
4-amino-2-chloro-N-(2,3-dimethylbutyl)benzenesulfonamide
CID 64569597
4-amino-2-chloro-N-(1-pyridin-4-ylethyl)benzenesulfonamide
CID 43523987
4-amino-2-chloro-N-[1-(furan-2-yl)ethyl]benzenesulfonamide
CID 43535601
4-amino-2-chloro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
CID 61125291
N-(1-aminopropan-2-yl)-2-chloro-4-methylbenzenesulfonamide
CID 63732403
5-amino-2-chloro-N-(4-hydroxybutan-2-yl)benzenesulfonamide
CID 83176400
3-amino-4-(4-methylpentan-2-ylsulfamoyl)benzamide
CID 81470893

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-chloro-N-(4-methylpentan-2-yl)benzenesulfonamide?
The IUPAC name of 4-amino-2-chloro-N-(4-methylpentan-2-yl)benzenesulfonamide (CID 43372042) is 4-amino-2-chloro-N-(4-methylpentan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2-chloro-N-(4-methylpentan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-2-chloro-N-(4-methylpentan-2-yl)benzenesulfonamide is CC(C)CC(C)NS(=O)(=O)c1ccc(N)cc1Cl.
What is the InChIKey of 4-amino-2-chloro-N-(4-methylpentan-2-yl)benzenesulfonamide?
The InChIKey is AWBCARBEGZDYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O2S/c1-8(2)6-9(3)15-18(16,17)12-5-4-10(14)7-11(12)13/h4-5,7-9,15H,6,14H2,1-3H3.
What are the key properties of 4-amino-2-chloro-N-(4-methylpentan-2-yl)benzenesulfonamide?
4-amino-2-chloro-N-(4-methylpentan-2-yl)benzenesulfonamide has a molecular weight of 290.82 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-chloro-N-(4-methylpentan-2-yl)benzenesulfonamide is sourced from PubChem (CID 43372042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).