5-chloro-N-cyclopropyl-2-methyl-3-(propylaminomethyl)benzenesulfonamide

C14H21ClN2O2S — CID 82885254

IUPAC5-chloro-N-cyclopropyl-2-methyl-3-(propylaminomethyl)benzenesulfonamide
SMILESCCCNCc1cc(Cl)cc(S(=O)(=O)NC2CC2)c1C
InChIInChI=1S/C14H21ClN2O2S/c1-3-6-16-9-11-7-12(15)8-14(10(11)2)20(18,19)17-13-4-5-13/h7-8,13,16-17H,3-6,9H2,1-2H3
InChIKeyGZFPFGZITHHPSA-UHFFFAOYSA-N
MW316.85 g/mol
LogP2.59
Rot. Bonds7

About 5-chloro-N-cyclopropyl-2-methyl-3-(propylaminomethyl)benzenesulfonamide

5-chloro-N-cyclopropyl-2-methyl-3-(propylaminomethyl)benzenesulfonamide (PubChem CID 82885254) has the molecular formula C14H21ClN2O2S and a molecular weight of 316.85 g/mol. Its IUPAC name is 5-chloro-N-cyclopropyl-2-methyl-3-(propylaminomethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-N-cyclopropyl-2-methyl-3-(propylaminomethyl)benzenesulfonamide
PubChem CID82885254
Molecular FormulaC14H21ClN2O2S
Molecular Weight316.85 g/mol
Exact Mass316.10
IUPAC Name5-chloro-N-cyclopropyl-2-methyl-3-(propylaminomethyl)benzenesulfonamide
SMILESCCCNCc1cc(Cl)cc(S(=O)(=O)NC2CC2)c1C
InChIInChI=1S/C14H21ClN2O2S/c1-3-6-16-9-11-7-12(15)8-14(10(11)2)20(18,19)17-13-4-5-13/h7-8,13,16-17H,3-6,9H2,1-2H3
InChIKeyGZFPFGZITHHPSA-UHFFFAOYSA-N
XLogP2.59
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.85
LogP ≤ 52.59
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

5-chloro-N-cyclopentyl-3-(ethylaminomethyl)-2-methylbenzenesulfonamide
CID 82879252
5-chloro-N-cyclobutyl-2-methyl-3-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 82879050
5-chloro-N-cyclopentyl-3-(hydroxymethyl)-2-methylbenzenesulfonamide
CID 82891157
3-(aminomethyl)-5-chloro-N-cyclopentyl-2-methylbenzenesulfonamide
CID 82884640
3-(aminomethyl)-5-chloro-N-cyclobutyl-2-methylbenzenesulfonamide
CID 82885175
5-chloro-3-(ethylaminomethyl)-2-methyl-N-(2-methylcyclopropyl)benzenesulfonamide
CID 82885354
5-chloro-2-methyl-3-(methylaminomethyl)-N-propylbenzenesulfonamide
CID 82885171
5-chloro-N-ethyl-3-(ethylaminomethyl)-2-methylbenzenesulfonamide
CID 82885173
3-amino-5-chloro-2-methyl-N-(4-methylcyclohexyl)benzenesulfonamide
CID 104963329
3-amino-5-chloro-N-(4-ethylcyclohexyl)-2-methylbenzenesulfonamide
CID 114379325
3-(aminomethyl)-5-chloro-2-methyl-N-(oxan-3-yl)benzenesulfonamide
CID 106065388
5-chloro-N-[2-(dimethylamino)ethyl]-3-(ethylaminomethyl)-2-methylbenzenesulfonamide
CID 106032746

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-cyclopropyl-2-methyl-3-(propylaminomethyl)benzenesulfonamide?
The IUPAC name of 5-chloro-N-cyclopropyl-2-methyl-3-(propylaminomethyl)benzenesulfonamide (CID 82885254) is 5-chloro-N-cyclopropyl-2-methyl-3-(propylaminomethyl)benzenesulfonamide.
What is the SMILES notation for 5-chloro-N-cyclopropyl-2-methyl-3-(propylaminomethyl)benzenesulfonamide?
The canonical SMILES for 5-chloro-N-cyclopropyl-2-methyl-3-(propylaminomethyl)benzenesulfonamide is CCCNCc1cc(Cl)cc(S(=O)(=O)NC2CC2)c1C.
What is the InChIKey of 5-chloro-N-cyclopropyl-2-methyl-3-(propylaminomethyl)benzenesulfonamide?
The InChIKey is GZFPFGZITHHPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2S/c1-3-6-16-9-11-7-12(15)8-14(10(11)2)20(18,19)17-13-4-5-13/h7-8,13,16-17H,3-6,9H2,1-2H3.
What are the key properties of 5-chloro-N-cyclopropyl-2-methyl-3-(propylaminomethyl)benzenesulfonamide?
5-chloro-N-cyclopropyl-2-methyl-3-(propylaminomethyl)benzenesulfonamide has a molecular weight of 316.85 g/mol, XLogP of 2.59, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-cyclopropyl-2-methyl-3-(propylaminomethyl)benzenesulfonamide is sourced from PubChem (CID 82885254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).