5-(aminomethyl)-N-[(2-chloro-6-methoxyphenyl)methyl]thiophene-3-sulfonamide

C13H15ClN2O3S2 — CID 106087259

IUPAC5-(aminomethyl)-N-[(2-chloro-6-methoxyphenyl)methyl]thiophene-3-sulfonamide
SMILESCOc1cccc(Cl)c1CNS(=O)(=O)c1csc(CN)c1
InChIInChI=1S/C13H15ClN2O3S2/c1-19-13-4-2-3-12(14)11(13)7-16-21(17,18)10-5-9(6-15)20-8-10/h2-5,8,16H,6-7,15H2,1H3
InChIKeyKORBBRWKEZNDRJ-UHFFFAOYSA-N
MW346.86 g/mol
LogP2.35
Rot. Bonds6

About 5-(aminomethyl)-N-[(2-chloro-6-methoxyphenyl)methyl]thiophene-3-sulfonamide

5-(aminomethyl)-N-[(2-chloro-6-methoxyphenyl)methyl]thiophene-3-sulfonamide (PubChem CID 106087259) has the molecular formula C13H15ClN2O3S2 and a molecular weight of 346.86 g/mol. Its IUPAC name is 5-(aminomethyl)-N-[(2-chloro-6-methoxyphenyl)methyl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-[(2-chloro-6-methoxyphenyl)methyl]thiophene-3-sulfonamide
PubChem CID106087259
Molecular FormulaC13H15ClN2O3S2
Molecular Weight346.86 g/mol
Exact Mass346.02
IUPAC Name5-(aminomethyl)-N-[(2-chloro-6-methoxyphenyl)methyl]thiophene-3-sulfonamide
SMILESCOc1cccc(Cl)c1CNS(=O)(=O)c1csc(CN)c1
InChIInChI=1S/C13H15ClN2O3S2/c1-19-13-4-2-3-12(14)11(13)7-16-21(17,18)10-5-9(6-15)20-8-10/h2-5,8,16H,6-7,15H2,1H3
InChIKeyKORBBRWKEZNDRJ-UHFFFAOYSA-N
XLogP2.35
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]pyridine-4-sulfonamide
CID 103292180
5-(aminomethyl)-N-[(4-chlorophenyl)methyl]thiophene-3-sulfonamide
CID 106023109
5-bromo-4-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]thiophene-2-sulfonamide
CID 103293302
5-(aminomethyl)-N-(2,5-dimethoxyphenyl)thiophene-3-sulfonamide
CID 106058867
5-(aminomethyl)-N-(3-bromo-4-methoxyphenyl)thiophene-3-sulfonamide
CID 106067006
5-(aminomethyl)-N-(3-fluoro-4-methoxyphenyl)thiophene-3-sulfonamide
CID 106030415
5-(aminomethyl)-N-(pyridin-4-ylmethyl)thiophene-3-sulfonamide
CID 114138779
1-(4-bromothiophen-2-yl)-N-[(2-chloro-6-methoxyphenyl)methyl]methanamine
CID 115634848
5-(aminomethyl)-N-(2-methoxypropyl)thiophene-3-sulfonamide
CID 102701613
5-(aminomethyl)-N-(2-methoxy-2-methylpropyl)thiophene-3-sulfonamide
CID 106079881
5-(aminomethyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thiophene-3-sulfonamide
CID 106093482
5-(aminomethyl)-N-pyridin-2-ylthiophene-3-sulfonamide
CID 106082397

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-[(2-chloro-6-methoxyphenyl)methyl]thiophene-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-[(2-chloro-6-methoxyphenyl)methyl]thiophene-3-sulfonamide (CID 106087259) is 5-(aminomethyl)-N-[(2-chloro-6-methoxyphenyl)methyl]thiophene-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-[(2-chloro-6-methoxyphenyl)methyl]thiophene-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-[(2-chloro-6-methoxyphenyl)methyl]thiophene-3-sulfonamide is COc1cccc(Cl)c1CNS(=O)(=O)c1csc(CN)c1.
What is the InChIKey of 5-(aminomethyl)-N-[(2-chloro-6-methoxyphenyl)methyl]thiophene-3-sulfonamide?
The InChIKey is KORBBRWKEZNDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O3S2/c1-19-13-4-2-3-12(14)11(13)7-16-21(17,18)10-5-9(6-15)20-8-10/h2-5,8,16H,6-7,15H2,1H3.
What are the key properties of 5-(aminomethyl)-N-[(2-chloro-6-methoxyphenyl)methyl]thiophene-3-sulfonamide?
5-(aminomethyl)-N-[(2-chloro-6-methoxyphenyl)methyl]thiophene-3-sulfonamide has a molecular weight of 346.86 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-[(2-chloro-6-methoxyphenyl)methyl]thiophene-3-sulfonamide is sourced from PubChem (CID 106087259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).