N-(3-aminopropyl)-3-chloro-4-methylbenzenesulfonamide;hydrochloride

C10H16Cl2N2O2S — CID 119962113

IUPACN-(3-aminopropyl)-3-chloro-4-methylbenzenesulfonamide;hydrochloride
SMILESCc1ccc(S(=O)(=O)NCCCN)cc1Cl.Cl
InChIInChI=1S/C10H15ClN2O2S.ClH/c1-8-3-4-9(7-10(8)11)16(14,15)13-6-2-5-12;/h3-4,7,13H,2,5-6,12H2,1H3;1H
InChIKeyQTFIQMACLJSZRI-UHFFFAOYSA-N
MW299.22 g/mol
LogP1.70
Rot. Bonds5

About N-(3-aminopropyl)-3-chloro-4-methylbenzenesulfonamide;hydrochloride

N-(3-aminopropyl)-3-chloro-4-methylbenzenesulfonamide;hydrochloride (PubChem CID 119962113) has the molecular formula C10H16Cl2N2O2S and a molecular weight of 299.22 g/mol. Its IUPAC name is N-(3-aminopropyl)-3-chloro-4-methylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminopropyl)-3-chloro-4-methylbenzenesulfonamide;hydrochloride
PubChem CID119962113
Molecular FormulaC10H16Cl2N2O2S
Molecular Weight299.22 g/mol
Exact Mass298.03
IUPAC NameN-(3-aminopropyl)-3-chloro-4-methylbenzenesulfonamide;hydrochloride
SMILESCc1ccc(S(=O)(=O)NCCCN)cc1Cl.Cl
InChIInChI=1S/C10H15ClN2O2S.ClH/c1-8-3-4-9(7-10(8)11)16(14,15)13-6-2-5-12;/h3-4,7,13H,2,5-6,12H2,1H3;1H
InChIKeyQTFIQMACLJSZRI-UHFFFAOYSA-N
XLogP1.70
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.22
LogP ≤ 51.70
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)-3,4-dichlorobenzenesulfonamide
CID 28754074
N-(2-aminoethyl)-3,4-dichlorobenzenesulfonamide;hydrochloride
CID 119960311
N-(3-aminopropyl)-3-chlorobenzenesulfonamide;hydrochloride
CID 119962046
N-(3-aminopropyl)-3,5-dichlorobenzenesulfonamide;hydrochloride
CID 119961978
3-chloro-N-[(3-chloro-4-methylphenyl)methyl]-4-methylbenzenesulfonamide
CID 3673362
3-chloro-4-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 3482248
N-(4-aminobutyl)-4-methylbenzenesulfonamide;hydrochloride
CID 120583806
N-(3-aminopropyl)-3,5-dimethylbenzenesulfonamide
CID 60777976
N-(3-aminopropyl)-2-chloro-4-fluoro-5-methylbenzenesulfonamide;hydrochloride
CID 119962035
N-(4-aminobutyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide
CID 120583345
N-(3-aminopropyl)-3,4-diethoxybenzenesulfonamide;hydrochloride
CID 119962102
N-(3-aminopropyl)-2,5-dichlorobenzenesulfonamide;hydrochloride
CID 119962044

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-3-chloro-4-methylbenzenesulfonamide;hydrochloride?
The IUPAC name of N-(3-aminopropyl)-3-chloro-4-methylbenzenesulfonamide;hydrochloride (CID 119962113) is N-(3-aminopropyl)-3-chloro-4-methylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(3-aminopropyl)-3-chloro-4-methylbenzenesulfonamide;hydrochloride?
The canonical SMILES for N-(3-aminopropyl)-3-chloro-4-methylbenzenesulfonamide;hydrochloride is Cc1ccc(S(=O)(=O)NCCCN)cc1Cl.Cl.
What is the InChIKey of N-(3-aminopropyl)-3-chloro-4-methylbenzenesulfonamide;hydrochloride?
The InChIKey is QTFIQMACLJSZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O2S.ClH/c1-8-3-4-9(7-10(8)11)16(14,15)13-6-2-5-12;/h3-4,7,13H,2,5-6,12H2,1H3;1H.
What are the key properties of N-(3-aminopropyl)-3-chloro-4-methylbenzenesulfonamide;hydrochloride?
N-(3-aminopropyl)-3-chloro-4-methylbenzenesulfonamide;hydrochloride has a molecular weight of 299.22 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-3-chloro-4-methylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119962113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).