5-chloro-N-[2-(methylaminomethyl)phenyl]thiophene-2-sulfonamide

C12H13ClN2O2S2 — CID 43606054

IUPAC5-chloro-N-[2-(methylaminomethyl)phenyl]thiophene-2-sulfonamide
SMILESCNCc1ccccc1NS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C12H13ClN2O2S2/c1-14-8-9-4-2-3-5-10(9)15-19(16,17)12-7-6-11(13)18-12/h2-7,14-15H,8H2,1H3
InChIKeyJWSKHQAPUSTKGP-UHFFFAOYSA-N
MW316.84 g/mol
LogP2.92
Rot. Bonds5

About 5-chloro-N-[2-(methylaminomethyl)phenyl]thiophene-2-sulfonamide

5-chloro-N-[2-(methylaminomethyl)phenyl]thiophene-2-sulfonamide (PubChem CID 43606054) has the molecular formula C12H13ClN2O2S2 and a molecular weight of 316.84 g/mol. Its IUPAC name is 5-chloro-N-[2-(methylaminomethyl)phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[2-(methylaminomethyl)phenyl]thiophene-2-sulfonamide
PubChem CID43606054
Molecular FormulaC12H13ClN2O2S2
Molecular Weight316.84 g/mol
Exact Mass316.01
IUPAC Name5-chloro-N-[2-(methylaminomethyl)phenyl]thiophene-2-sulfonamide
SMILESCNCc1ccccc1NS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C12H13ClN2O2S2/c1-14-8-9-4-2-3-5-10(9)15-19(16,17)12-7-6-11(13)18-12/h2-7,14-15H,8H2,1H3
InChIKeyJWSKHQAPUSTKGP-UHFFFAOYSA-N
XLogP2.92
TPSA58.20 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 ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-chloro-N-[2-(methylaminomethyl)phenyl]thiophene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(bromomethyl)phenyl]-5-chlorothiophene-2-sulfonamide
CID 113271462
N-[2-[(2R)-butan-2-yl]phenyl]-5-chlorothiophene-2-sulfonamide
CID 8025055
2,5-dichloro-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide
CID 43606052
5-chloro-2-methyl-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide
CID 43606096
3,4-dichloro-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide
CID 43606048
5-chloro-N-[(2-hydroxyphenyl)methyl]thiophene-2-sulfonamide
CID 113317167
3-bromo-4-chloro-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide
CID 106606532
5-chloro-N-(2-chloro-3-pyridinyl)thiophene-2-sulfonamide
CID 4729238
2,6-difluoro-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide
CID 43606132
5-chloro-N-pyrimidin-2-ylthiophene-2-sulfonamide
CID 19683573
5-methyl-N-[2-(methylaminomethyl)phenyl]-1H-pyrazole-4-sulfonamide
CID 60910701
5-chloro-N-([1,2,4]triazolo[1,5-a]pyridin-8-yl)thiophene-2-sulfonamide
CID 53190702

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(methylaminomethyl)phenyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[2-(methylaminomethyl)phenyl]thiophene-2-sulfonamide (CID 43606054) is 5-chloro-N-[2-(methylaminomethyl)phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[2-(methylaminomethyl)phenyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[2-(methylaminomethyl)phenyl]thiophene-2-sulfonamide is CNCc1ccccc1NS(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[2-(methylaminomethyl)phenyl]thiophene-2-sulfonamide?
The InChIKey is JWSKHQAPUSTKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2S2/c1-14-8-9-4-2-3-5-10(9)15-19(16,17)12-7-6-11(13)18-12/h2-7,14-15H,8H2,1H3.
What are the key properties of 5-chloro-N-[2-(methylaminomethyl)phenyl]thiophene-2-sulfonamide?
5-chloro-N-[2-(methylaminomethyl)phenyl]thiophene-2-sulfonamide has a molecular weight of 316.84 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(methylaminomethyl)phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 43606054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).