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

C11H17ClN2O2S — CID 63253709

IUPACN-(3-aminobutyl)-2-chloro-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCC(C)N)c(Cl)c1
InChIInChI=1S/C11H17ClN2O2S/c1-8-3-4-11(10(12)7-8)17(15,16)14-6-5-9(2)13/h3-4,7,9,14H,5-6,13H2,1-2H3
InChIKeyZPAQSZPVTUZLSS-UHFFFAOYSA-N
MW276.79 g/mol
LogP1.66
Rot. Bonds5

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

N-(3-aminobutyl)-2-chloro-4-methylbenzenesulfonamide (PubChem CID 63253709) has the molecular formula C11H17ClN2O2S and a molecular weight of 276.79 g/mol. Its IUPAC name is N-(3-aminobutyl)-2-chloro-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-aminobutyl)-2-chloro-4-methylbenzenesulfonamide
PubChem CID63253709
Molecular FormulaC11H17ClN2O2S
Molecular Weight276.79 g/mol
Exact Mass276.07
IUPAC NameN-(3-aminobutyl)-2-chloro-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCC(C)N)c(Cl)c1
InChIInChI=1S/C11H17ClN2O2S/c1-8-3-4-11(10(12)7-8)17(15,16)14-6-5-9(2)13/h3-4,7,9,14H,5-6,13H2,1-2H3
InChIKeyZPAQSZPVTUZLSS-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

N-(3-aminobutyl)-4-chloro-2-methylbenzenesulfonamide
CID 63253857
N-(3-aminobutyl)-2-methoxy-5-methylbenzenesulfonamide
CID 55169894
2,4-dimethyl-N-(3-methylbutyl)benzenesulfonamide
CID 19681816
N-(3-amino-4-methoxybutyl)-2,4-dimethylbenzenesulfonamide
CID 106243978
N-(3-aminobutyl)-2-chloro-5-methylsulfonylbenzenesulfonamide
CID 63251758
2-chloro-4-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120715884
N-[2-[(2-chloro-4-methylphenyl)sulfonylamino]ethyl]acetamide
CID 32675868
N-(1-aminopropan-2-yl)-2-chloro-4-methylbenzenesulfonamide
CID 63732403
N-(3-aminobutyl)-3-chloro-2-fluorobenzenesulfonamide
CID 63251282
N-(3-aminobutyl)-6-chloro-2,3-dihydro-1,4-benzodioxine-7-sulfonamide;hydrochloride
CID 119972671
N-(3-aminobutyl)-2,5-dibromobenzenesulfonamide
CID 55169700
2-chloro-N-[2-(2-methoxyethylamino)ethyl]-4-methylbenzenesulfonamide
CID 83039829

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-2-chloro-4-methylbenzenesulfonamide?
The IUPAC name of N-(3-aminobutyl)-2-chloro-4-methylbenzenesulfonamide (CID 63253709) is N-(3-aminobutyl)-2-chloro-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(3-aminobutyl)-2-chloro-4-methylbenzenesulfonamide?
The canonical SMILES for N-(3-aminobutyl)-2-chloro-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCCC(C)N)c(Cl)c1.
What is the InChIKey of N-(3-aminobutyl)-2-chloro-4-methylbenzenesulfonamide?
The InChIKey is ZPAQSZPVTUZLSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O2S/c1-8-3-4-11(10(12)7-8)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)-2-chloro-4-methylbenzenesulfonamide?
N-(3-aminobutyl)-2-chloro-4-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)-2-chloro-4-methylbenzenesulfonamide is sourced from PubChem (CID 63253709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).