N-(3-aminobutyl)-4-chloro-2-methylbenzenesulfonamide

C11H17ClN2O2S — CID 63253857

IUPACN-(3-aminobutyl)-4-chloro-2-methylbenzenesulfonamide
SMILESCc1cc(Cl)ccc1S(=O)(=O)NCCC(C)N
InChIInChI=1S/C11H17ClN2O2S/c1-8-7-10(12)3-4-11(8)17(15,16)14-6-5-9(2)13/h3-4,7,9,14H,5-6,13H2,1-2H3
InChIKeyHKGDYHRHXMQASP-UHFFFAOYSA-N
MW276.79 g/mol
LogP1.66
Rot. Bonds5

About N-(3-aminobutyl)-4-chloro-2-methylbenzenesulfonamide

N-(3-aminobutyl)-4-chloro-2-methylbenzenesulfonamide (PubChem CID 63253857) has the molecular formula C11H17ClN2O2S and a molecular weight of 276.79 g/mol. Its IUPAC name is N-(3-aminobutyl)-4-chloro-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-aminobutyl)-4-chloro-2-methylbenzenesulfonamide
PubChem CID63253857
Molecular FormulaC11H17ClN2O2S
Molecular Weight276.79 g/mol
Exact Mass276.07
IUPAC NameN-(3-aminobutyl)-4-chloro-2-methylbenzenesulfonamide
SMILESCc1cc(Cl)ccc1S(=O)(=O)NCCC(C)N
InChIInChI=1S/C11H17ClN2O2S/c1-8-7-10(12)3-4-11(8)17(15,16)14-6-5-9(2)13/h3-4,7,9,14H,5-6,13H2,1-2H3
InChIKeyHKGDYHRHXMQASP-UHFFFAOYSA-N
XLogP1.66
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.79
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(3-hydroxybutyl)-2-methylbenzenesulfonamide
CID 64913110
N-(3-aminobutyl)-2-chloro-4-methylbenzenesulfonamide
CID 63253709
N-(2-aminobutyl)-4-chloro-2-methylbenzenesulfonamide
CID 63730781
methyl 2-(3-aminobutylsulfamoyl)-4-chlorobenzoate
CID 119972795
3-[(4-chloro-2-methylphenyl)sulfonylamino]propanoic acid
CID 43361136
4-chloro-N-[2-(ethylamino)ethyl]-2-methylbenzenesulfonamide;hydrochloride
CID 119973952
N-(3-aminobutyl)-5-chloro-4-methoxy-2-methylbenzenesulfonamide;hydrochloride
CID 120708555
4-chloro-2-methyl-N-[2-methyl-3-(methylamino)propyl]benzenesulfonamide
CID 113282581
4-[(4-chloro-2-methylphenyl)sulfonylamino]butanoic acid
CID 43361160
2,4-dimethyl-N-(3-methylbutyl)benzenesulfonamide
CID 19681816
N-(3-aminobutyl)-2-chloro-5-methylsulfonylbenzenesulfonamide
CID 63251758
5-chloro-2-methyl-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide
CID 55100686

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-4-chloro-2-methylbenzenesulfonamide?
The IUPAC name of N-(3-aminobutyl)-4-chloro-2-methylbenzenesulfonamide (CID 63253857) is N-(3-aminobutyl)-4-chloro-2-methylbenzenesulfonamide.
What is the SMILES notation for N-(3-aminobutyl)-4-chloro-2-methylbenzenesulfonamide?
The canonical SMILES for N-(3-aminobutyl)-4-chloro-2-methylbenzenesulfonamide is Cc1cc(Cl)ccc1S(=O)(=O)NCCC(C)N.
What is the InChIKey of N-(3-aminobutyl)-4-chloro-2-methylbenzenesulfonamide?
The InChIKey is HKGDYHRHXMQASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O2S/c1-8-7-10(12)3-4-11(8)17(15,16)14-6-5-9(2)13/h3-4,7,9,14H,5-6,13H2,1-2H3.
What are the key properties of N-(3-aminobutyl)-4-chloro-2-methylbenzenesulfonamide?
N-(3-aminobutyl)-4-chloro-2-methylbenzenesulfonamide has a molecular weight of 276.79 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-4-chloro-2-methylbenzenesulfonamide is sourced from PubChem (CID 63253857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).