3-(aminomethyl)-4-chloro-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide

C14H17ClN2O2S2 — CID 106004402

IUPAC3-(aminomethyl)-4-chloro-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
SMILESCC(Cc1cccs1)NS(=O)(=O)c1ccc(Cl)c(CN)c1
InChIInChI=1S/C14H17ClN2O2S2/c1-10(7-12-3-2-6-20-12)17-21(18,19)13-4-5-14(15)11(8-13)9-16/h2-6,8,10,17H,7,9,16H2,1H3
InChIKeyOGXHELXYFZCRBJ-UHFFFAOYSA-N
MW344.89 g/mol
LogP2.77
Rot. Bonds6

About 3-(aminomethyl)-4-chloro-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide

3-(aminomethyl)-4-chloro-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide (PubChem CID 106004402) has the molecular formula C14H17ClN2O2S2 and a molecular weight of 344.89 g/mol. Its IUPAC name is 3-(aminomethyl)-4-chloro-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-4-chloro-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
PubChem CID106004402
Molecular FormulaC14H17ClN2O2S2
Molecular Weight344.89 g/mol
Exact Mass344.04
IUPAC Name3-(aminomethyl)-4-chloro-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
SMILESCC(Cc1cccs1)NS(=O)(=O)c1ccc(Cl)c(CN)c1
InChIInChI=1S/C14H17ClN2O2S2/c1-10(7-12-3-2-6-20-12)17-21(18,19)13-4-5-14(15)11(8-13)9-16/h2-6,8,10,17H,7,9,16H2,1H3
InChIKeyOGXHELXYFZCRBJ-UHFFFAOYSA-N
XLogP2.77
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.89
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4-cyano-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
CID 115582135
4-amino-2-chloro-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
CID 63291622
5-amino-2-chloro-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
CID 63291710
4-amino-2-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
CID 63291367
4-(cyanomethyl)-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
CID 79203526
2-hydrazinyl-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-5-sulfonamide
CID 63292014
2-amino-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
CID 55173103
4-(aminomethyl)-2,5-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)furan-3-sulfonamide
CID 106004118
3-(aminomethyl)-4-chloro-N-(1-cyclopentylethyl)benzenesulfonamide
CID 106066129
1-(3-aminopropyl)-N-(1-thiophen-2-ylpropan-2-yl)pyrazole-4-sulfonamide
CID 106004407
2-amino-5-bromo-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3-sulfonamide
CID 63295984
3-(aminomethyl)-4-fluoro-N-[1-(furan-2-yl)propan-2-yl]benzenesulfonamide
CID 63288766

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-4-chloro-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-4-chloro-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide (CID 106004402) is 3-(aminomethyl)-4-chloro-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-4-chloro-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-4-chloro-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide is CC(Cc1cccs1)NS(=O)(=O)c1ccc(Cl)c(CN)c1.
What is the InChIKey of 3-(aminomethyl)-4-chloro-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide?
The InChIKey is OGXHELXYFZCRBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2S2/c1-10(7-12-3-2-6-20-12)17-21(18,19)13-4-5-14(15)11(8-13)9-16/h2-6,8,10,17H,7,9,16H2,1H3.
What are the key properties of 3-(aminomethyl)-4-chloro-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide?
3-(aminomethyl)-4-chloro-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide has a molecular weight of 344.89 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-4-chloro-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 106004402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).