3-(aminomethyl)-5-chloro-2-methyl-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide

C15H23ClN2O2S — CID 106089995

IUPAC3-(aminomethyl)-5-chloro-2-methyl-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide
SMILESCc1c(CN)cc(Cl)cc1S(=O)(=O)NCC1CCC(C)C1
InChIInChI=1S/C15H23ClN2O2S/c1-10-3-4-12(5-10)9-18-21(19,20)15-7-14(16)6-13(8-17)11(15)2/h6-7,10,12,18H,3-5,8-9,17H2,1-2H3
InChIKeyGBUKRJZGHOITTO-UHFFFAOYSA-N
MW330.88 g/mol
LogP2.82
Rot. Bonds5

About 3-(aminomethyl)-5-chloro-2-methyl-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide

3-(aminomethyl)-5-chloro-2-methyl-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide (PubChem CID 106089995) has the molecular formula C15H23ClN2O2S and a molecular weight of 330.88 g/mol. Its IUPAC name is 3-(aminomethyl)-5-chloro-2-methyl-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-5-chloro-2-methyl-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide
PubChem CID106089995
Molecular FormulaC15H23ClN2O2S
Molecular Weight330.88 g/mol
Exact Mass330.12
IUPAC Name3-(aminomethyl)-5-chloro-2-methyl-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide
SMILESCc1c(CN)cc(Cl)cc1S(=O)(=O)NCC1CCC(C)C1
InChIInChI=1S/C15H23ClN2O2S/c1-10-3-4-12(5-10)9-18-21(19,20)15-7-14(16)6-13(8-17)11(15)2/h6-7,10,12,18H,3-5,8-9,17H2,1-2H3
InChIKeyGBUKRJZGHOITTO-UHFFFAOYSA-N
XLogP2.82
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.88
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dichloro-3-(hydroxymethyl)-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide
CID 106000226
3-(aminomethyl)-5-chloro-N-cyclopentyl-2-methylbenzenesulfonamide
CID 82884640
3-(aminomethyl)-5-chloro-N-cyclobutyl-2-methylbenzenesulfonamide
CID 82885175
3-(aminomethyl)-5-chloro-2-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 106076335
3-(aminomethyl)-N-(2-butoxyethyl)-5-chloro-2-methylbenzenesulfonamide
CID 106017638
3-(aminomethyl)-5-chloro-N-[2-(dimethylamino)ethyl]-2-methylbenzenesulfonamide
CID 106032749
3-(aminomethyl)-2,5-dichloro-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114552033
3-(aminomethyl)-5-chloro-N-(2-ethoxyethyl)-2-methylbenzenesulfonamide
CID 106020144
3-(aminomethyl)-5-chloro-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzenesulfonamide
CID 82878357
3-(aminomethyl)-5-chloro-2-methyl-N-(2,2,3,3-tetrafluoropropyl)benzenesulfonamide
CID 106295911
2-chloro-N-[(3-methylcyclopentyl)methyl]pyridine-3-sulfonamide
CID 107412513
3-(aminomethyl)-4-methoxy-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide
CID 106089862

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-5-chloro-2-methyl-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-5-chloro-2-methyl-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide (CID 106089995) is 3-(aminomethyl)-5-chloro-2-methyl-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-5-chloro-2-methyl-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-5-chloro-2-methyl-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide is Cc1c(CN)cc(Cl)cc1S(=O)(=O)NCC1CCC(C)C1.
What is the InChIKey of 3-(aminomethyl)-5-chloro-2-methyl-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide?
The InChIKey is GBUKRJZGHOITTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2S/c1-10-3-4-12(5-10)9-18-21(19,20)15-7-14(16)6-13(8-17)11(15)2/h6-7,10,12,18H,3-5,8-9,17H2,1-2H3.
What are the key properties of 3-(aminomethyl)-5-chloro-2-methyl-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide?
3-(aminomethyl)-5-chloro-2-methyl-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide has a molecular weight of 330.88 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-5-chloro-2-methyl-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide is sourced from PubChem (CID 106089995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).