N-(3-aminopropyl)-2-chloro-4-fluoro-5-methylbenzenesulfonamide;hydrochloride

C10H15Cl2FN2O2S — CID 119962035

IUPACN-(3-aminopropyl)-2-chloro-4-fluoro-5-methylbenzenesulfonamide;hydrochloride
SMILESCc1cc(S(=O)(=O)NCCCN)c(Cl)cc1F.Cl
InChIInChI=1S/C10H14ClFN2O2S.ClH/c1-7-5-10(8(11)6-9(7)12)17(15,16)14-4-2-3-13;/h5-6,14H,2-4,13H2,1H3;1H
InChIKeyJBFGRWNQAVZQQM-UHFFFAOYSA-N
MW317.21 g/mol
LogP1.84
Rot. Bonds5

About N-(3-aminopropyl)-2-chloro-4-fluoro-5-methylbenzenesulfonamide;hydrochloride

N-(3-aminopropyl)-2-chloro-4-fluoro-5-methylbenzenesulfonamide;hydrochloride (PubChem CID 119962035) has the molecular formula C10H15Cl2FN2O2S and a molecular weight of 317.21 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-chloro-4-fluoro-5-methylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-chloro-4-fluoro-5-methylbenzenesulfonamide;hydrochloride
PubChem CID119962035
Molecular FormulaC10H15Cl2FN2O2S
Molecular Weight317.21 g/mol
Exact Mass316.02
IUPAC NameN-(3-aminopropyl)-2-chloro-4-fluoro-5-methylbenzenesulfonamide;hydrochloride
SMILESCc1cc(S(=O)(=O)NCCCN)c(Cl)cc1F.Cl
InChIInChI=1S/C10H14ClFN2O2S.ClH/c1-7-5-10(8(11)6-9(7)12)17(15,16)14-4-2-3-13;/h5-6,14H,2-4,13H2,1H3;1H
InChIKeyJBFGRWNQAVZQQM-UHFFFAOYSA-N
XLogP1.84
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.21
LogP ≤ 51.84
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

2-chloro-4-fluoro-5-methyl-N-propylbenzenesulfonamide
CID 165483617
N-(3-aminopropyl)-2,5-dichlorobenzenesulfonamide;hydrochloride
CID 119962044
N-(4-aminobutyl)-2-chloro-5-methylbenzenesulfonamide;hydrochloride
CID 120583388
N-(3-aminopropyl)-3-chloro-4-methylbenzenesulfonamide;hydrochloride
CID 119962113
2-chloro-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-4-fluoro-5-methylbenzenesulfonamide
CID 134697084
N-(3-aminopropyl)-5-bromo-2-chlorobenzenesulfonamide
CID 119962290
2-chloro-5-fluoro-4-methylbenzenesulfonohydrazide
CID 171366796
N-(4-aminobutyl)-2,4-dichloro-3-fluorobenzenesulfonamide;hydrochloride
CID 120713472
N-(4-aminobutyl)-2-fluoro-4-methylbenzenesulfonamide;hydrochloride
CID 120583305
N-(3-aminopropyl)-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 28754094
N-(4-aminobutyl)-5-bromo-4-fluoro-2-methylbenzenesulfonamide
CID 120713373
N-(3-aminopropyl)-2,5-dichloro-3,6-dimethylbenzenesulfonamide
CID 43605726

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-chloro-4-fluoro-5-methylbenzenesulfonamide;hydrochloride?
The IUPAC name of N-(3-aminopropyl)-2-chloro-4-fluoro-5-methylbenzenesulfonamide;hydrochloride (CID 119962035) is N-(3-aminopropyl)-2-chloro-4-fluoro-5-methylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(3-aminopropyl)-2-chloro-4-fluoro-5-methylbenzenesulfonamide;hydrochloride?
The canonical SMILES for N-(3-aminopropyl)-2-chloro-4-fluoro-5-methylbenzenesulfonamide;hydrochloride is Cc1cc(S(=O)(=O)NCCCN)c(Cl)cc1F.Cl.
What is the InChIKey of N-(3-aminopropyl)-2-chloro-4-fluoro-5-methylbenzenesulfonamide;hydrochloride?
The InChIKey is JBFGRWNQAVZQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClFN2O2S.ClH/c1-7-5-10(8(11)6-9(7)12)17(15,16)14-4-2-3-13;/h5-6,14H,2-4,13H2,1H3;1H.
What are the key properties of N-(3-aminopropyl)-2-chloro-4-fluoro-5-methylbenzenesulfonamide;hydrochloride?
N-(3-aminopropyl)-2-chloro-4-fluoro-5-methylbenzenesulfonamide;hydrochloride has a molecular weight of 317.21 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-chloro-4-fluoro-5-methylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119962035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).