4-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-2-methoxybenzenesulfonamide

C13H15ClN2O3S2 — CID 102704632

IUPAC4-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-2-methoxybenzenesulfonamide
SMILESCOc1cc(CN)ccc1S(=O)(=O)NCc1ccc(Cl)s1
InChIInChI=1S/C13H15ClN2O3S2/c1-19-11-6-9(7-15)2-4-12(11)21(17,18)16-8-10-3-5-13(14)20-10/h2-6,16H,7-8,15H2,1H3
InChIKeyVAKMAXOTLUWOFN-UHFFFAOYSA-N
MW346.86 g/mol
LogP2.35
Rot. Bonds6

About 4-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-2-methoxybenzenesulfonamide

4-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-2-methoxybenzenesulfonamide (PubChem CID 102704632) has the molecular formula C13H15ClN2O3S2 and a molecular weight of 346.86 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-2-methoxybenzenesulfonamide
PubChem CID102704632
Molecular FormulaC13H15ClN2O3S2
Molecular Weight346.86 g/mol
Exact Mass346.02
IUPAC Name4-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-2-methoxybenzenesulfonamide
SMILESCOc1cc(CN)ccc1S(=O)(=O)NCc1ccc(Cl)s1
InChIInChI=1S/C13H15ClN2O3S2/c1-19-11-6-9(7-15)2-4-12(11)21(17,18)16-8-10-3-5-13(14)20-10/h2-6,16H,7-8,15H2,1H3
InChIKeyVAKMAXOTLUWOFN-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

N-[(5-chlorothiophen-2-yl)methyl]-2-fluoro-4-(methylaminomethyl)benzenesulfonamide
CID 79180054
4-(aminomethyl)-2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 106030823
5-(aminomethyl)-N-[(4-chlorophenyl)methyl]-2-methoxybenzenesulfonamide
CID 141351209
4-(aminomethyl)-2-bromo-N-[2-(5-chlorothiophen-2-yl)ethyl]benzenesulfonamide
CID 106095152
4-(aminomethyl)-2-methoxy-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide
CID 106055671
4-(aminomethyl)-2-methoxy-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide
CID 106433784
4-(aminomethyl)-2-methoxy-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 106031507
4-(aminomethyl)-2-methoxy-N-[(1-methoxycyclobutyl)methyl]benzenesulfonamide
CID 106091011
5-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methoxybenzenesulfonamide
CID 106034891
4-(aminomethyl)-2-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 106411185
2-(5-chlorothiophen-2-yl)-N-[(3,4-dimethoxyphenyl)methyl]ethanamine
CID 103617197
N-[(4-bromothiophen-2-yl)methyl]-4-(hydroxymethyl)-2-methoxybenzenesulfonamide
CID 102704070

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-2-methoxybenzenesulfonamide?
The IUPAC name of 4-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-2-methoxybenzenesulfonamide (CID 102704632) is 4-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-2-methoxybenzenesulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-2-methoxybenzenesulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-2-methoxybenzenesulfonamide is COc1cc(CN)ccc1S(=O)(=O)NCc1ccc(Cl)s1.
What is the InChIKey of 4-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-2-methoxybenzenesulfonamide?
The InChIKey is VAKMAXOTLUWOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O3S2/c1-19-11-6-9(7-15)2-4-12(11)21(17,18)16-8-10-3-5-13(14)20-10/h2-6,16H,7-8,15H2,1H3.
What are the key properties of 4-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-2-methoxybenzenesulfonamide?
4-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-2-methoxybenzenesulfonamide 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 4-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-2-methoxybenzenesulfonamide is sourced from PubChem (CID 102704632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).