4-(aminomethyl)-3-chloro-N-(3-cyclopentylpropyl)benzenesulfonamide

C15H23ClN2O2S — CID 106016313

IUPAC4-(aminomethyl)-3-chloro-N-(3-cyclopentylpropyl)benzenesulfonamide
SMILESNCc1ccc(S(=O)(=O)NCCCC2CCCC2)cc1Cl
InChIInChI=1S/C15H23ClN2O2S/c16-15-10-14(8-7-13(15)11-17)21(19,20)18-9-3-6-12-4-1-2-5-12/h7-8,10,12,18H,1-6,9,11,17H2
InChIKeyBIEVKQXZKNTCTP-UHFFFAOYSA-N
MW330.88 g/mol
LogP3.05
Rot. Bonds7

About 4-(aminomethyl)-3-chloro-N-(3-cyclopentylpropyl)benzenesulfonamide

4-(aminomethyl)-3-chloro-N-(3-cyclopentylpropyl)benzenesulfonamide (PubChem CID 106016313) has the molecular formula C15H23ClN2O2S and a molecular weight of 330.88 g/mol. Its IUPAC name is 4-(aminomethyl)-3-chloro-N-(3-cyclopentylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-3-chloro-N-(3-cyclopentylpropyl)benzenesulfonamide
PubChem CID106016313
Molecular FormulaC15H23ClN2O2S
Molecular Weight330.88 g/mol
Exact Mass330.12
IUPAC Name4-(aminomethyl)-3-chloro-N-(3-cyclopentylpropyl)benzenesulfonamide
SMILESNCc1ccc(S(=O)(=O)NCCCC2CCCC2)cc1Cl
InChIInChI=1S/C15H23ClN2O2S/c16-15-10-14(8-7-13(15)11-17)21(19,20)18-9-3-6-12-4-1-2-5-12/h7-8,10,12,18H,1-6,9,11,17H2
InChIKeyBIEVKQXZKNTCTP-UHFFFAOYSA-N
XLogP3.05
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.88
LogP ≤ 53.05
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

3-bromo-4-chloro-N-(3-cyclopentylpropyl)benzenesulfonamide
CID 106012518
3-chloro-N-(3-cyclopropylpropyl)-4-(methylaminomethyl)benzenesulfonamide
CID 107091710
6-amino-5-chloro-N-(3-cyclopentylpropyl)pyridine-3-sulfonamide
CID 106014920
5-amino-2-chloro-N-(3-cyclopentylpropyl)benzenesulfonamide
CID 106006680
2-chloro-5-(2-cyclopentylethylsulfamoyl)benzoic acid
CID 60734449
5-(aminomethyl)-N-(3-cyclopentylpropyl)-1-ethylpyrrole-3-sulfonamide
CID 106094516
3-amino-N-(3-cyclopropylpropyl)benzenesulfonamide
CID 113498451
3-chloro-4-cyano-N-(2-cyclobutylethyl)benzenesulfonamide
CID 115690473
N-(3-aminopropyl)-3,4-dichlorobenzenesulfonamide
CID 28754074
4-(aminomethyl)-N-(cyclohexylmethyl)-3-methylbenzenesulfonamide
CID 106919131
N-(3-cyclopentylpropyl)-3-(methylaminomethyl)benzenesulfonamide
CID 106094503
3-chloro-4-[(cyclopropylamino)methyl]-N-pentylbenzenesulfonamide
CID 106058257

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-3-chloro-N-(3-cyclopentylpropyl)benzenesulfonamide?
The IUPAC name of 4-(aminomethyl)-3-chloro-N-(3-cyclopentylpropyl)benzenesulfonamide (CID 106016313) is 4-(aminomethyl)-3-chloro-N-(3-cyclopentylpropyl)benzenesulfonamide.
What is the SMILES notation for 4-(aminomethyl)-3-chloro-N-(3-cyclopentylpropyl)benzenesulfonamide?
The canonical SMILES for 4-(aminomethyl)-3-chloro-N-(3-cyclopentylpropyl)benzenesulfonamide is NCc1ccc(S(=O)(=O)NCCCC2CCCC2)cc1Cl.
What is the InChIKey of 4-(aminomethyl)-3-chloro-N-(3-cyclopentylpropyl)benzenesulfonamide?
The InChIKey is BIEVKQXZKNTCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2S/c16-15-10-14(8-7-13(15)11-17)21(19,20)18-9-3-6-12-4-1-2-5-12/h7-8,10,12,18H,1-6,9,11,17H2.
What are the key properties of 4-(aminomethyl)-3-chloro-N-(3-cyclopentylpropyl)benzenesulfonamide?
4-(aminomethyl)-3-chloro-N-(3-cyclopentylpropyl)benzenesulfonamide has a molecular weight of 330.88 g/mol, XLogP of 3.05, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-3-chloro-N-(3-cyclopentylpropyl)benzenesulfonamide is sourced from PubChem (CID 106016313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).