2-chloro-N-(3-methylbutan-2-yl)-5-(propylaminomethyl)benzenesulfonamide

C15H25ClN2O2S — CID 106029837

IUPAC2-chloro-N-(3-methylbutan-2-yl)-5-(propylaminomethyl)benzenesulfonamide
SMILESCCCNCc1ccc(Cl)c(S(=O)(=O)NC(C)C(C)C)c1
InChIInChI=1S/C15H25ClN2O2S/c1-5-8-17-10-13-6-7-14(16)15(9-13)21(19,20)18-12(4)11(2)3/h6-7,9,11-12,17-18H,5,8,10H2,1-4H3
InChIKeyUHAMVGAUNFZMBC-UHFFFAOYSA-N
MW332.90 g/mol
LogP3.16
Rot. Bonds8

About 2-chloro-N-(3-methylbutan-2-yl)-5-(propylaminomethyl)benzenesulfonamide

2-chloro-N-(3-methylbutan-2-yl)-5-(propylaminomethyl)benzenesulfonamide (PubChem CID 106029837) has the molecular formula C15H25ClN2O2S and a molecular weight of 332.90 g/mol. Its IUPAC name is 2-chloro-N-(3-methylbutan-2-yl)-5-(propylaminomethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(3-methylbutan-2-yl)-5-(propylaminomethyl)benzenesulfonamide
PubChem CID106029837
Molecular FormulaC15H25ClN2O2S
Molecular Weight332.90 g/mol
Exact Mass332.13
IUPAC Name2-chloro-N-(3-methylbutan-2-yl)-5-(propylaminomethyl)benzenesulfonamide
SMILESCCCNCc1ccc(Cl)c(S(=O)(=O)NC(C)C(C)C)c1
InChIInChI=1S/C15H25ClN2O2S/c1-5-8-17-10-13-6-7-14(16)15(9-13)21(19,20)18-12(4)11(2)3/h6-7,9,11-12,17-18H,5,8,10H2,1-4H3
InChIKeyUHAMVGAUNFZMBC-UHFFFAOYSA-N
XLogP3.16
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.90
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-chloro-N-(3-methylbutan-2-yl)-5-(propylaminomethyl)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

2-chloro-5-(methylaminomethyl)-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 106053736
2-chloro-5-(methylaminomethyl)-N-(2-methylpentan-3-yl)benzenesulfonamide
CID 106018832
2-chloro-5-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
CID 106079618
2-bromo-N-(1-methylsulfanylpropan-2-yl)-5-(propylaminomethyl)benzenesulfonamide
CID 106079818
2-methyl-N-(2-methylsulfanylpropyl)-5-(propylaminomethyl)benzenesulfonamide
CID 106077729
2-chloro-N-[1-(dimethylamino)propan-2-yl]-5-(methylaminomethyl)benzenesulfonamide
CID 106074343
5-(ethylaminomethyl)-2-methyl-N-(2-methylpentan-3-yl)benzenesulfonamide
CID 106018838
2-bromo-5-(ethylaminomethyl)-3-methyl-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 106030105
2-bromo-3-methyl-N-propan-2-yl-5-(propylaminomethyl)benzenesulfonamide
CID 114364335
N-[(3,4-dichlorophenyl)methyl]-2-ethylsulfonylethanamine
CID 103643069
N-[[3-chloro-4-(2-propan-2-ylsulfonylethoxy)phenyl]methyl]propan-1-amine
CID 106722159
2,5-dichloro-N-[(2R)-pentan-2-yl]benzenesulfonamide
CID 788817

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-methylbutan-2-yl)-5-(propylaminomethyl)benzenesulfonamide?
The IUPAC name of 2-chloro-N-(3-methylbutan-2-yl)-5-(propylaminomethyl)benzenesulfonamide (CID 106029837) is 2-chloro-N-(3-methylbutan-2-yl)-5-(propylaminomethyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(3-methylbutan-2-yl)-5-(propylaminomethyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-N-(3-methylbutan-2-yl)-5-(propylaminomethyl)benzenesulfonamide is CCCNCc1ccc(Cl)c(S(=O)(=O)NC(C)C(C)C)c1.
What is the InChIKey of 2-chloro-N-(3-methylbutan-2-yl)-5-(propylaminomethyl)benzenesulfonamide?
The InChIKey is UHAMVGAUNFZMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN2O2S/c1-5-8-17-10-13-6-7-14(16)15(9-13)21(19,20)18-12(4)11(2)3/h6-7,9,11-12,17-18H,5,8,10H2,1-4H3.
What are the key properties of 2-chloro-N-(3-methylbutan-2-yl)-5-(propylaminomethyl)benzenesulfonamide?
2-chloro-N-(3-methylbutan-2-yl)-5-(propylaminomethyl)benzenesulfonamide has a molecular weight of 332.90 g/mol, XLogP of 3.16, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-methylbutan-2-yl)-5-(propylaminomethyl)benzenesulfonamide is sourced from PubChem (CID 106029837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).