4-(aminomethyl)-2-chloro-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide

C15H25ClN2O2S — CID 102904883

IUPAC4-(aminomethyl)-2-chloro-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
SMILESCC(C)C(CNS(=O)(=O)c1ccc(CN)cc1Cl)C(C)C
InChIInChI=1S/C15H25ClN2O2S/c1-10(2)13(11(3)4)9-18-21(19,20)15-6-5-12(8-17)7-14(15)16/h5-7,10-11,13,18H,8-9,17H2,1-4H3
InChIKeyIMQACMAALJMERK-UHFFFAOYSA-N
MW332.90 g/mol
LogP3.01
Rot. Bonds7

About 4-(aminomethyl)-2-chloro-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide

4-(aminomethyl)-2-chloro-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide (PubChem CID 102904883) has the molecular formula C15H25ClN2O2S and a molecular weight of 332.90 g/mol. Its IUPAC name is 4-(aminomethyl)-2-chloro-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-2-chloro-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
PubChem CID102904883
Molecular FormulaC15H25ClN2O2S
Molecular Weight332.90 g/mol
Exact Mass332.13
IUPAC Name4-(aminomethyl)-2-chloro-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
SMILESCC(C)C(CNS(=O)(=O)c1ccc(CN)cc1Cl)C(C)C
InChIInChI=1S/C15H25ClN2O2S/c1-10(2)13(11(3)4)9-18-21(19,20)15-6-5-12(8-17)7-14(15)16/h5-7,10-11,13,18H,8-9,17H2,1-4H3
InChIKeyIMQACMAALJMERK-UHFFFAOYSA-N
XLogP3.01
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.90
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(aminomethyl)-2-chloro-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
CID 102915813
4-(aminomethyl)-2-chloro-N-(4-propan-2-yloxybutyl)benzenesulfonamide
CID 106016293
3-[[4-(aminomethyl)-2-chlorophenyl]sulfonylamino]-N,2,2-trimethylpropanamide
CID 106275995
3-[[4-(aminomethyl)-2-chlorophenyl]sulfonylamino]-2,2-dimethylpropanamide
CID 106275955
4-(aminomethyl)-2-chloro-N-(2-ethoxyethyl)benzenesulfonamide
CID 113370382
4-(aminomethyl)-2-methyl-N-(2,3,3-trimethylbutyl)benzenesulfonamide
CID 106997096
4-(aminomethyl)-N-(2,3-dimethylbutyl)-2-fluorobenzenesulfonamide
CID 79190769
4-amino-2-chloro-N-(2,3-dimethylbutyl)benzenesulfonamide
CID 64569597
2-amino-4-fluoro-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
CID 102903293
4-amino-2-fluoro-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
CID 102903343
4-(aminomethyl)-2-chloro-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide
CID 106217429
N-[[4-(aminomethyl)phenyl]methyl]-4-bromo-2-chlorobenzenesulfonamide
CID 81095097

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-chloro-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide?
The IUPAC name of 4-(aminomethyl)-2-chloro-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide (CID 102904883) is 4-(aminomethyl)-2-chloro-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide.
What is the SMILES notation for 4-(aminomethyl)-2-chloro-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide?
The canonical SMILES for 4-(aminomethyl)-2-chloro-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide is CC(C)C(CNS(=O)(=O)c1ccc(CN)cc1Cl)C(C)C.
What is the InChIKey of 4-(aminomethyl)-2-chloro-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide?
The InChIKey is IMQACMAALJMERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN2O2S/c1-10(2)13(11(3)4)9-18-21(19,20)15-6-5-12(8-17)7-14(15)16/h5-7,10-11,13,18H,8-9,17H2,1-4H3.
What are the key properties of 4-(aminomethyl)-2-chloro-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide?
4-(aminomethyl)-2-chloro-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide has a molecular weight of 332.90 g/mol, XLogP of 3.01, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-chloro-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide is sourced from PubChem (CID 102904883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).