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

C12H13ClN2O2S2 — CID 106023109

IUPAC5-(aminomethyl)-N-[(4-chlorophenyl)methyl]thiophene-3-sulfonamide
SMILESNCc1cc(S(=O)(=O)NCc2ccc(Cl)cc2)cs1
InChIInChI=1S/C12H13ClN2O2S2/c13-10-3-1-9(2-4-10)7-15-19(16,17)12-5-11(6-14)18-8-12/h1-5,8,15H,6-7,14H2
InChIKeyXGGXRWKIROPAOM-UHFFFAOYSA-N
MW316.84 g/mol
LogP2.34
Rot. Bonds5

About 5-(aminomethyl)-N-[(4-chlorophenyl)methyl]thiophene-3-sulfonamide

5-(aminomethyl)-N-[(4-chlorophenyl)methyl]thiophene-3-sulfonamide (PubChem CID 106023109) has the molecular formula C12H13ClN2O2S2 and a molecular weight of 316.84 g/mol. Its IUPAC name is 5-(aminomethyl)-N-[(4-chlorophenyl)methyl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-[(4-chlorophenyl)methyl]thiophene-3-sulfonamide
PubChem CID106023109
Molecular FormulaC12H13ClN2O2S2
Molecular Weight316.84 g/mol
Exact Mass316.01
IUPAC Name5-(aminomethyl)-N-[(4-chlorophenyl)methyl]thiophene-3-sulfonamide
SMILESNCc1cc(S(=O)(=O)NCc2ccc(Cl)cc2)cs1
InChIInChI=1S/C12H13ClN2O2S2/c13-10-3-1-9(2-4-10)7-15-19(16,17)12-5-11(6-14)18-8-12/h1-5,8,15H,6-7,14H2
InChIKeyXGGXRWKIROPAOM-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

5-(aminomethyl)-N-(pyridin-4-ylmethyl)thiophene-3-sulfonamide
CID 114138779
N-[[4-(aminomethyl)phenyl]methyl]-4-chlorobenzenesulfonamide
CID 81089757
5-(aminomethyl)-N-[(2-chloro-6-methoxyphenyl)methyl]thiophene-3-sulfonamide
CID 106087259
3-(aminomethyl)-N-[(4-chlorophenyl)methyl]-4-methylbenzenesulfonamide
CID 106023385
N-[[4-(aminomethyl)phenyl]methyl]-3-chlorobenzenesulfonamide
CID 81090139
5-(aminomethyl)-N-(2,2-difluoroethyl)thiophene-3-sulfonamide
CID 115409051
2-(aminomethyl)-N-[(4-chlorophenyl)methyl]thiophene-3-sulfonamide
CID 106023220
3-chloro-N-[(4-chlorophenyl)methyl]-4-fluorobenzenesulfonamide
CID 26945724
5-(aminomethyl)-N-(2,5-difluorophenyl)thiophene-3-sulfonamide
CID 106058021
5-(aminomethyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thiophene-3-sulfonamide
CID 106093482
N-[(4-chlorophenyl)methyl]-4-iodobenzenesulfonamide
CID 5000374
N-[(4-chlorophenyl)methyl]-3,4-dimethylbenzenesulfonamide
CID 19680628

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-[(4-chlorophenyl)methyl]thiophene-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-[(4-chlorophenyl)methyl]thiophene-3-sulfonamide (CID 106023109) is 5-(aminomethyl)-N-[(4-chlorophenyl)methyl]thiophene-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-[(4-chlorophenyl)methyl]thiophene-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-[(4-chlorophenyl)methyl]thiophene-3-sulfonamide is NCc1cc(S(=O)(=O)NCc2ccc(Cl)cc2)cs1.
What is the InChIKey of 5-(aminomethyl)-N-[(4-chlorophenyl)methyl]thiophene-3-sulfonamide?
The InChIKey is XGGXRWKIROPAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2S2/c13-10-3-1-9(2-4-10)7-15-19(16,17)12-5-11(6-14)18-8-12/h1-5,8,15H,6-7,14H2.
What are the key properties of 5-(aminomethyl)-N-[(4-chlorophenyl)methyl]thiophene-3-sulfonamide?
5-(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 5-(aminomethyl)-N-[(4-chlorophenyl)methyl]thiophene-3-sulfonamide is sourced from PubChem (CID 106023109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).