5-(aminomethyl)-N-(2-chlorophenyl)-2-methylthiophene-3-sulfonamide

C12H13ClN2O2S2 — CID 106061940

IUPAC5-(aminomethyl)-N-(2-chlorophenyl)-2-methylthiophene-3-sulfonamide
SMILESCc1sc(CN)cc1S(=O)(=O)Nc1ccccc1Cl
InChIInChI=1S/C12H13ClN2O2S2/c1-8-12(6-9(7-14)18-8)19(16,17)15-11-5-3-2-4-10(11)13/h2-6,15H,7,14H2,1H3
InChIKeyHEDPZEWQZGEVDU-UHFFFAOYSA-N
MW316.84 g/mol
LogP2.97
Rot. Bonds4

About 5-(aminomethyl)-N-(2-chlorophenyl)-2-methylthiophene-3-sulfonamide

5-(aminomethyl)-N-(2-chlorophenyl)-2-methylthiophene-3-sulfonamide (PubChem CID 106061940) has the molecular formula C12H13ClN2O2S2 and a molecular weight of 316.84 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(2-chlorophenyl)-2-methylthiophene-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(2-chlorophenyl)-2-methylthiophene-3-sulfonamide
PubChem CID106061940
Molecular FormulaC12H13ClN2O2S2
Molecular Weight316.84 g/mol
Exact Mass316.01
IUPAC Name5-(aminomethyl)-N-(2-chlorophenyl)-2-methylthiophene-3-sulfonamide
SMILESCc1sc(CN)cc1S(=O)(=O)Nc1ccccc1Cl
InChIInChI=1S/C12H13ClN2O2S2/c1-8-12(6-9(7-14)18-8)19(16,17)15-11-5-3-2-4-10(11)13/h2-6,15H,7,14H2,1H3
InChIKeyHEDPZEWQZGEVDU-UHFFFAOYSA-N
XLogP2.97
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.84
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-N-(2,4-dichlorophenyl)-2-methylthiophene-3-sulfonamide
CID 106057468
5-(aminomethyl)-N-(5-bromo-2-chlorophenyl)-2-methylthiophene-3-sulfonamide
CID 106056715
5-(aminomethyl)-N-(2-chloro-4-fluorophenyl)-2-methylthiophene-3-sulfonamide
CID 106029213
5-(aminomethyl)-N-(4-chloro-2-iodophenyl)-2-methylthiophene-3-sulfonamide
CID 106087437
5-(aminomethyl)-N-(2,5-dibromophenyl)-2-methylthiophene-3-sulfonamide
CID 106007333
5-(aminomethyl)-N-(2-chlorophenyl)-2,3-dimethylbenzenesulfonamide
CID 106061933
5-(aminomethyl)-N-(4-bromo-2-fluorophenyl)-2-methylthiophene-3-sulfonamide
CID 106058485
5-(aminomethyl)-2-bromo-N-(2,3-dichlorophenyl)thiophene-3-sulfonamide
CID 106030714
5-(aminomethyl)-2-methyl-N-(6-methyl-2-pyridinyl)thiophene-3-sulfonamide
CID 106086961
5-(aminomethyl)-N-(4-fluoro-2-methoxyphenyl)-2-methylthiophene-3-sulfonamide
CID 106052167
5-(aminomethyl)-N-(4-bromo-2,5-difluorophenyl)-2-methylthiophene-3-sulfonamide
CID 106088832
N-(2-chlorophenyl)-5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylthiophene-3-sulfonamide
CID 53079419

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(2-chlorophenyl)-2-methylthiophene-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(2-chlorophenyl)-2-methylthiophene-3-sulfonamide (CID 106061940) is 5-(aminomethyl)-N-(2-chlorophenyl)-2-methylthiophene-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(2-chlorophenyl)-2-methylthiophene-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(2-chlorophenyl)-2-methylthiophene-3-sulfonamide is Cc1sc(CN)cc1S(=O)(=O)Nc1ccccc1Cl.
What is the InChIKey of 5-(aminomethyl)-N-(2-chlorophenyl)-2-methylthiophene-3-sulfonamide?
The InChIKey is HEDPZEWQZGEVDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2S2/c1-8-12(6-9(7-14)18-8)19(16,17)15-11-5-3-2-4-10(11)13/h2-6,15H,7,14H2,1H3.
What are the key properties of 5-(aminomethyl)-N-(2-chlorophenyl)-2-methylthiophene-3-sulfonamide?
5-(aminomethyl)-N-(2-chlorophenyl)-2-methylthiophene-3-sulfonamide has a molecular weight of 316.84 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(2-chlorophenyl)-2-methylthiophene-3-sulfonamide is sourced from PubChem (CID 106061940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).