2-chloro-N-methyl-N-(thiophen-3-ylmethyl)pyrimidine-5-sulfonamide

C10H10ClN3O2S2 — CID 43528240

IUPAC2-chloro-N-methyl-N-(thiophen-3-ylmethyl)pyrimidine-5-sulfonamide
SMILESCN(Cc1ccsc1)S(=O)(=O)c1cnc(Cl)nc1
InChIInChI=1S/C10H10ClN3O2S2/c1-14(6-8-2-3-17-7-8)18(15,16)9-4-12-10(11)13-5-9/h2-5,7H,6H2,1H3
InChIKeyQPTLCNJDKTUMRH-UHFFFAOYSA-N
MW303.80 g/mol
LogP2.01
Rot. Bonds4

About 2-chloro-N-methyl-N-(thiophen-3-ylmethyl)pyrimidine-5-sulfonamide

2-chloro-N-methyl-N-(thiophen-3-ylmethyl)pyrimidine-5-sulfonamide (PubChem CID 43528240) has the molecular formula C10H10ClN3O2S2 and a molecular weight of 303.80 g/mol. Its IUPAC name is 2-chloro-N-methyl-N-(thiophen-3-ylmethyl)pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-methyl-N-(thiophen-3-ylmethyl)pyrimidine-5-sulfonamide
PubChem CID43528240
Molecular FormulaC10H10ClN3O2S2
Molecular Weight303.80 g/mol
Exact Mass302.99
IUPAC Name2-chloro-N-methyl-N-(thiophen-3-ylmethyl)pyrimidine-5-sulfonamide
SMILESCN(Cc1ccsc1)S(=O)(=O)c1cnc(Cl)nc1
InChIInChI=1S/C10H10ClN3O2S2/c1-14(6-8-2-3-17-7-8)18(15,16)9-4-12-10(11)13-5-9/h2-5,7H,6H2,1H3
InChIKeyQPTLCNJDKTUMRH-UHFFFAOYSA-N
XLogP2.01
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.80
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-chloro-N-methyl-N-(thiophen-3-ylmethyl)pyrimidine-5-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

4-hydroxy-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 43528520
4-amino-3-chloro-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 115329710
2-chloro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]pyrimidine-5-sulfonamide
CID 61042674
N-methyl-4-(methylamino)-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 43528516
4-hydrazinyl-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 43528511
3-(aminomethyl)-4-chloro-5-fluoro-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 81452712
3-chloro-N,4-dimethyl-5-nitro-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 9190935
4-amino-2-chloro-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 43527986
2-hydroxy-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 81241113
2-chloro-N-[(2,4-dimethylphenyl)methyl]-N-methylpyrimidine-5-sulfonamide
CID 61040966
N-methyl-N-(thiophen-3-ylmethyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421876
3-amino-4-fluoro-N,5-dimethyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 115421234

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-N-(thiophen-3-ylmethyl)pyrimidine-5-sulfonamide?
The IUPAC name of 2-chloro-N-methyl-N-(thiophen-3-ylmethyl)pyrimidine-5-sulfonamide (CID 43528240) is 2-chloro-N-methyl-N-(thiophen-3-ylmethyl)pyrimidine-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-methyl-N-(thiophen-3-ylmethyl)pyrimidine-5-sulfonamide?
The canonical SMILES for 2-chloro-N-methyl-N-(thiophen-3-ylmethyl)pyrimidine-5-sulfonamide is CN(Cc1ccsc1)S(=O)(=O)c1cnc(Cl)nc1.
What is the InChIKey of 2-chloro-N-methyl-N-(thiophen-3-ylmethyl)pyrimidine-5-sulfonamide?
The InChIKey is QPTLCNJDKTUMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O2S2/c1-14(6-8-2-3-17-7-8)18(15,16)9-4-12-10(11)13-5-9/h2-5,7H,6H2,1H3.
What are the key properties of 2-chloro-N-methyl-N-(thiophen-3-ylmethyl)pyrimidine-5-sulfonamide?
2-chloro-N-methyl-N-(thiophen-3-ylmethyl)pyrimidine-5-sulfonamide has a molecular weight of 303.80 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-N-(thiophen-3-ylmethyl)pyrimidine-5-sulfonamide is sourced from PubChem (CID 43528240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).