2-(aminomethyl)-N-[(4-chlorophenyl)methyl]thiophene-3-sulfonamide

C12H13ClN2O2S2 — CID 106023220

IUPAC2-(aminomethyl)-N-[(4-chlorophenyl)methyl]thiophene-3-sulfonamide
SMILESNCc1sccc1S(=O)(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C12H13ClN2O2S2/c13-10-3-1-9(2-4-10)8-15-19(16,17)12-5-6-18-11(12)7-14/h1-6,15H,7-8,14H2
InChIKeyOZKIEHLCNRCJNA-UHFFFAOYSA-N
MW316.84 g/mol
LogP2.34
Rot. Bonds5

About 2-(aminomethyl)-N-[(4-chlorophenyl)methyl]thiophene-3-sulfonamide

2-(aminomethyl)-N-[(4-chlorophenyl)methyl]thiophene-3-sulfonamide (PubChem CID 106023220) has the molecular formula C12H13ClN2O2S2 and a molecular weight of 316.84 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(4-chlorophenyl)methyl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(4-chlorophenyl)methyl]thiophene-3-sulfonamide
PubChem CID106023220
Molecular FormulaC12H13ClN2O2S2
Molecular Weight316.84 g/mol
Exact Mass316.01
IUPAC Name2-(aminomethyl)-N-[(4-chlorophenyl)methyl]thiophene-3-sulfonamide
SMILESNCc1sccc1S(=O)(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C12H13ClN2O2S2/c13-10-3-1-9(2-4-10)8-15-19(16,17)12-5-6-18-11(12)7-14/h1-6,15H,7-8,14H2
InChIKeyOZKIEHLCNRCJNA-UHFFFAOYSA-N
XLogP2.34
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.84
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(aminomethyl)phenyl]methyl]-4-chlorobenzenesulfonamide
CID 81089757
2-(aminomethyl)-N-(5-chloro-2-fluorophenyl)thiophene-3-sulfonamide
CID 106030355
5-(aminomethyl)-N-[(4-chlorophenyl)methyl]thiophene-3-sulfonamide
CID 106023109
2-(aminomethyl)-N-[(1-methylimidazol-2-yl)methyl]thiophene-3-sulfonamide
CID 106062510
N-[[4-(aminomethyl)phenyl]methyl]-4-chloro-2-fluorobenzenesulfonamide
CID 81094378
2-(aminomethyl)-N-(2,2,3-trimethylbutyl)thiophene-3-sulfonamide
CID 114102326
2-(aminomethyl)-N-[2-(dimethylamino)ethyl]thiophene-3-sulfonamide
CID 106032375
2-(aminomethyl)-N-[(4-ethylcyclohexyl)methyl]thiophene-3-sulfonamide
CID 106012613
5-(aminomethyl)-N-[(4-chlorophenyl)methyl]-2-methoxybenzenesulfonamide
CID 141351209
2-(aminomethyl)-N-(3,4-dichlorophenyl)thiophene-3-sulfonamide
CID 106059491
2-(methylaminomethyl)-N-(pyridin-4-ylmethyl)thiophene-3-sulfonamide
CID 106030940
2-(aminomethyl)-N-(7-methyloctyl)thiophene-3-sulfonamide
CID 107818682

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[(4-chlorophenyl)methyl]thiophene-3-sulfonamide?
The IUPAC name of 2-(aminomethyl)-N-[(4-chlorophenyl)methyl]thiophene-3-sulfonamide (CID 106023220) is 2-(aminomethyl)-N-[(4-chlorophenyl)methyl]thiophene-3-sulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-[(4-chlorophenyl)methyl]thiophene-3-sulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-[(4-chlorophenyl)methyl]thiophene-3-sulfonamide is NCc1sccc1S(=O)(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of 2-(aminomethyl)-N-[(4-chlorophenyl)methyl]thiophene-3-sulfonamide?
The InChIKey is OZKIEHLCNRCJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2S2/c13-10-3-1-9(2-4-10)8-15-19(16,17)12-5-6-18-11(12)7-14/h1-6,15H,7-8,14H2.
What are the key properties of 2-(aminomethyl)-N-[(4-chlorophenyl)methyl]thiophene-3-sulfonamide?
2-(aminomethyl)-N-[(4-chlorophenyl)methyl]thiophene-3-sulfonamide has a molecular weight of 316.84 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[(4-chlorophenyl)methyl]thiophene-3-sulfonamide is sourced from PubChem (CID 106023220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).