N-(4-aminobutyl)-2-chloro-5-methylbenzenesulfonamide;hydrochloride

C11H18Cl2N2O2S — CID 120583388

IUPACN-(4-aminobutyl)-2-chloro-5-methylbenzenesulfonamide;hydrochloride
SMILESCc1ccc(Cl)c(S(=O)(=O)NCCCCN)c1.Cl
InChIInChI=1S/C11H17ClN2O2S.ClH/c1-9-4-5-10(12)11(8-9)17(15,16)14-7-3-2-6-13;/h4-5,8,14H,2-3,6-7,13H2,1H3;1H
InChIKeyXJZGYDUZFPNVGD-UHFFFAOYSA-N
MW313.25 g/mol
LogP2.09
Rot. Bonds6

About N-(4-aminobutyl)-2-chloro-5-methylbenzenesulfonamide;hydrochloride

N-(4-aminobutyl)-2-chloro-5-methylbenzenesulfonamide;hydrochloride (PubChem CID 120583388) has the molecular formula C11H18Cl2N2O2S and a molecular weight of 313.25 g/mol. Its IUPAC name is N-(4-aminobutyl)-2-chloro-5-methylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(4-aminobutyl)-2-chloro-5-methylbenzenesulfonamide;hydrochloride
PubChem CID120583388
Molecular FormulaC11H18Cl2N2O2S
Molecular Weight313.25 g/mol
Exact Mass312.05
IUPAC NameN-(4-aminobutyl)-2-chloro-5-methylbenzenesulfonamide;hydrochloride
SMILESCc1ccc(Cl)c(S(=O)(=O)NCCCCN)c1.Cl
InChIInChI=1S/C11H17ClN2O2S.ClH/c1-9-4-5-10(12)11(8-9)17(15,16)14-7-3-2-6-13;/h4-5,8,14H,2-3,6-7,13H2,1H3;1H
InChIKeyXJZGYDUZFPNVGD-UHFFFAOYSA-N
XLogP2.09
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.25
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminopropyl)-2,5-dichlorobenzenesulfonamide;hydrochloride
CID 119962044
N-(4-aminobutyl)-2-fluoro-4-methylbenzenesulfonamide;hydrochloride
CID 120583305
N-(3-aminopropyl)-5-bromo-2-chlorobenzenesulfonamide
CID 119962290
N-(4-aminobutyl)-4-methylbenzenesulfonamide;hydrochloride
CID 120583806
N-(4-aminobutyl)-2,4-dichloro-3-fluorobenzenesulfonamide;hydrochloride
CID 120713472
N-(4-aminobutyl)-4-chloronaphthalene-1-sulfonamide;hydrochloride
CID 120583359
N-(3-aminopropyl)-2-chloro-4-fluoro-5-methylbenzenesulfonamide;hydrochloride
CID 119962035
N-(4-aminobutyl)-4-chloronaphthalene-1-sulfonamide
CID 120583360
N-(4-aminobutyl)-2,6-dichlorobenzenesulfonamide;hydrochloride
CID 120583800
N-(2-aminoethyl)-2-chloro-5-fluorobenzenesulfonamide;hydrochloride
CID 86780565
2,5-dichloro-N-(6-chlorohexyl)benzenesulfonamide
CID 107849099
N-(6-chlorohexyl)-2,5-dimethylbenzenesulfonamide
CID 114008809

Frequently Asked Questions

What is the IUPAC name of N-(4-aminobutyl)-2-chloro-5-methylbenzenesulfonamide;hydrochloride?
The IUPAC name of N-(4-aminobutyl)-2-chloro-5-methylbenzenesulfonamide;hydrochloride (CID 120583388) is N-(4-aminobutyl)-2-chloro-5-methylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(4-aminobutyl)-2-chloro-5-methylbenzenesulfonamide;hydrochloride?
The canonical SMILES for N-(4-aminobutyl)-2-chloro-5-methylbenzenesulfonamide;hydrochloride is Cc1ccc(Cl)c(S(=O)(=O)NCCCCN)c1.Cl.
What is the InChIKey of N-(4-aminobutyl)-2-chloro-5-methylbenzenesulfonamide;hydrochloride?
The InChIKey is XJZGYDUZFPNVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O2S.ClH/c1-9-4-5-10(12)11(8-9)17(15,16)14-7-3-2-6-13;/h4-5,8,14H,2-3,6-7,13H2,1H3;1H.
What are the key properties of N-(4-aminobutyl)-2-chloro-5-methylbenzenesulfonamide;hydrochloride?
N-(4-aminobutyl)-2-chloro-5-methylbenzenesulfonamide;hydrochloride has a molecular weight of 313.25 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminobutyl)-2-chloro-5-methylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 120583388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).