N-(2-aminobutyl)-2-chloro-5-methylsulfonylbenzenesulfonamide

C11H17ClN2O4S2 — CID 63730770

IUPACN-(2-aminobutyl)-2-chloro-5-methylsulfonylbenzenesulfonamide
SMILESCCC(N)CNS(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl
InChIInChI=1S/C11H17ClN2O4S2/c1-3-8(13)7-14-20(17,18)11-6-9(19(2,15)16)4-5-10(11)12/h4-6,8,14H,3,7,13H2,1-2H3
InChIKeyWFFAOMKJQPTJIQ-UHFFFAOYSA-N
MW340.85 g/mol
LogP0.76
Rot. Bonds6

About N-(2-aminobutyl)-2-chloro-5-methylsulfonylbenzenesulfonamide

N-(2-aminobutyl)-2-chloro-5-methylsulfonylbenzenesulfonamide (PubChem CID 63730770) has the molecular formula C11H17ClN2O4S2 and a molecular weight of 340.85 g/mol. Its IUPAC name is N-(2-aminobutyl)-2-chloro-5-methylsulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-aminobutyl)-2-chloro-5-methylsulfonylbenzenesulfonamide
PubChem CID63730770
Molecular FormulaC11H17ClN2O4S2
Molecular Weight340.85 g/mol
Exact Mass340.03
IUPAC NameN-(2-aminobutyl)-2-chloro-5-methylsulfonylbenzenesulfonamide
SMILESCCC(N)CNS(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl
InChIInChI=1S/C11H17ClN2O4S2/c1-3-8(13)7-14-20(17,18)11-6-9(19(2,15)16)4-5-10(11)12/h4-6,8,14H,3,7,13H2,1-2H3
InChIKeyWFFAOMKJQPTJIQ-UHFFFAOYSA-N
XLogP0.76
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.85
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2-aminobutyl)-2-chloro-5-methylsulfonylbenzenesulfonamide 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-N-(3,3-difluoro-2-hydroxypropyl)-5-methylsulfonylbenzenesulfonamide
CID 103836927
N-(3-aminobutyl)-2-chloro-5-methylsulfonylbenzenesulfonamide
CID 63251758
N-(2-aminobutyl)-4-chloro-3-(trifluoromethyl)benzenesulfonamide
CID 63730766
N-(2-aminobutyl)-3,5-dichlorobenzenesulfonamide
CID 63730553
N-(2-aminobutyl)-3-chloro-2-methylbenzenesulfonamide
CID 55231263
2-chloro-N-[2-(methylamino)ethyl]-5-methylsulfonylbenzenesulfonamide
CID 62656822
2-chloro-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-5-methylsulfonylbenzenesulfonamide
CID 55598328
N-(2-aminobutyl)-4-chloro-2-methylbenzenesulfonamide
CID 63730781
N-(2-aminopentyl)-2-chloro-5-fluorobenzenesulfonamide
CID 86780772
2-[(2-chloro-5-methylsulfonylphenyl)sulfonylamino]butanoic acid
CID 43415212
2-chloro-N-(2-methylpropoxy)-5-methylsulfonylbenzenesulfonamide
CID 82715577
2-chloro-5-methylsulfonyl-N-(2-morpholin-4-yl-2-phenylethyl)benzenesulfonamide
CID 55598948

Frequently Asked Questions

What is the IUPAC name of N-(2-aminobutyl)-2-chloro-5-methylsulfonylbenzenesulfonamide?
The IUPAC name of N-(2-aminobutyl)-2-chloro-5-methylsulfonylbenzenesulfonamide (CID 63730770) is N-(2-aminobutyl)-2-chloro-5-methylsulfonylbenzenesulfonamide.
What is the SMILES notation for N-(2-aminobutyl)-2-chloro-5-methylsulfonylbenzenesulfonamide?
The canonical SMILES for N-(2-aminobutyl)-2-chloro-5-methylsulfonylbenzenesulfonamide is CCC(N)CNS(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl.
What is the InChIKey of N-(2-aminobutyl)-2-chloro-5-methylsulfonylbenzenesulfonamide?
The InChIKey is WFFAOMKJQPTJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O4S2/c1-3-8(13)7-14-20(17,18)11-6-9(19(2,15)16)4-5-10(11)12/h4-6,8,14H,3,7,13H2,1-2H3.
What are the key properties of N-(2-aminobutyl)-2-chloro-5-methylsulfonylbenzenesulfonamide?
N-(2-aminobutyl)-2-chloro-5-methylsulfonylbenzenesulfonamide has a molecular weight of 340.85 g/mol, XLogP of 0.76, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminobutyl)-2-chloro-5-methylsulfonylbenzenesulfonamide is sourced from PubChem (CID 63730770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).