4-(aminomethyl)-3-chloro-N-(2-ethylsulfanylcyclopentyl)benzenesulfonamide

C14H21ClN2O2S2 — CID 106093469

IUPAC4-(aminomethyl)-3-chloro-N-(2-ethylsulfanylcyclopentyl)benzenesulfonamide
SMILESCCSC1CCCC1NS(=O)(=O)c1ccc(CN)c(Cl)c1
InChIInChI=1S/C14H21ClN2O2S2/c1-2-20-14-5-3-4-13(14)17-21(18,19)11-7-6-10(9-16)12(15)8-11/h6-8,13-14,17H,2-5,9,16H2,1H3
InChIKeyVCNPKSZGTLNGTR-UHFFFAOYSA-N
MW348.92 g/mol
LogP2.75
Rot. Bonds6

About 4-(aminomethyl)-3-chloro-N-(2-ethylsulfanylcyclopentyl)benzenesulfonamide

4-(aminomethyl)-3-chloro-N-(2-ethylsulfanylcyclopentyl)benzenesulfonamide (PubChem CID 106093469) has the molecular formula C14H21ClN2O2S2 and a molecular weight of 348.92 g/mol. Its IUPAC name is 4-(aminomethyl)-3-chloro-N-(2-ethylsulfanylcyclopentyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-3-chloro-N-(2-ethylsulfanylcyclopentyl)benzenesulfonamide
PubChem CID106093469
Molecular FormulaC14H21ClN2O2S2
Molecular Weight348.92 g/mol
Exact Mass348.07
IUPAC Name4-(aminomethyl)-3-chloro-N-(2-ethylsulfanylcyclopentyl)benzenesulfonamide
SMILESCCSC1CCCC1NS(=O)(=O)c1ccc(CN)c(Cl)c1
InChIInChI=1S/C14H21ClN2O2S2/c1-2-20-14-5-3-4-13(14)17-21(18,19)11-7-6-10(9-16)12(15)8-11/h6-8,13-14,17H,2-5,9,16H2,1H3
InChIKeyVCNPKSZGTLNGTR-UHFFFAOYSA-N
XLogP2.75
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.92
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(2-ethylsulfanylcyclopentyl)-5-(hydroxymethyl)benzenesulfonamide
CID 106002315
4-(aminomethyl)-3-chloro-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114545500
5-bromo-N-(2-ethylsulfanylcyclopentyl)pyridine-3-sulfonamide
CID 113249327
5-(aminomethyl)-N-(2-ethylsulfanylcyclopentyl)-2-methylfuran-3-sulfonamide
CID 106093408
4-(aminomethyl)-3-chloro-N-(1-ethylsulfanylpropan-2-yl)benzenesulfonamide
CID 106083429
N-(2-ethylsulfanylcyclopentyl)-5-(hydroxymethyl)thiophene-3-sulfonamide
CID 106002321
3-chloro-4-(hydroxymethyl)-N-(2-methoxycyclopentyl)benzenesulfonamide
CID 107090747
4-(aminomethyl)-3-chloro-N-(3-cyclopentylpropyl)benzenesulfonamide
CID 106016313
N-(2-aminocyclopentyl)-3,4-dichlorobenzenesulfonamide
CID 63252169
N-(2-ethylsulfanylcyclopentyl)ethanesulfonamide
CID 103727787
N-[2-(aminomethyl)cyclohexyl]-3-chloro-4-methylsulfanylbenzenesulfonamide;hydrochloride
CID 120711169
3-(aminomethyl)-4-ethoxy-N-(2-methylcyclopentyl)benzenesulfonamide
CID 106064265

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-3-chloro-N-(2-ethylsulfanylcyclopentyl)benzenesulfonamide?
The IUPAC name of 4-(aminomethyl)-3-chloro-N-(2-ethylsulfanylcyclopentyl)benzenesulfonamide (CID 106093469) is 4-(aminomethyl)-3-chloro-N-(2-ethylsulfanylcyclopentyl)benzenesulfonamide.
What is the SMILES notation for 4-(aminomethyl)-3-chloro-N-(2-ethylsulfanylcyclopentyl)benzenesulfonamide?
The canonical SMILES for 4-(aminomethyl)-3-chloro-N-(2-ethylsulfanylcyclopentyl)benzenesulfonamide is CCSC1CCCC1NS(=O)(=O)c1ccc(CN)c(Cl)c1.
What is the InChIKey of 4-(aminomethyl)-3-chloro-N-(2-ethylsulfanylcyclopentyl)benzenesulfonamide?
The InChIKey is VCNPKSZGTLNGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2S2/c1-2-20-14-5-3-4-13(14)17-21(18,19)11-7-6-10(9-16)12(15)8-11/h6-8,13-14,17H,2-5,9,16H2,1H3.
What are the key properties of 4-(aminomethyl)-3-chloro-N-(2-ethylsulfanylcyclopentyl)benzenesulfonamide?
4-(aminomethyl)-3-chloro-N-(2-ethylsulfanylcyclopentyl)benzenesulfonamide has a molecular weight of 348.92 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-3-chloro-N-(2-ethylsulfanylcyclopentyl)benzenesulfonamide is sourced from PubChem (CID 106093469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).