2-chloro-N-(2-methyl-3H-benzimidazol-5-yl)pyrimidine-5-sulfonamide

C12H10ClN5O2S — CID 61053137

IUPAC2-chloro-N-(2-methyl-3H-benzimidazol-5-yl)pyrimidine-5-sulfonamide
SMILESCc1nc2ccc(NS(=O)(=O)c3cnc(Cl)nc3)cc2[nH]1
InChIInChI=1S/C12H10ClN5O2S/c1-7-16-10-3-2-8(4-11(10)17-7)18-21(19,20)9-5-14-12(13)15-6-9/h2-6,18H,1H3,(H,16,17)
InChIKeyVHQYHADDXUZWAX-UHFFFAOYSA-N
MW323.77 g/mol
LogP2.12
Rot. Bonds3

About 2-chloro-N-(2-methyl-3H-benzimidazol-5-yl)pyrimidine-5-sulfonamide

2-chloro-N-(2-methyl-3H-benzimidazol-5-yl)pyrimidine-5-sulfonamide (PubChem CID 61053137) has the molecular formula C12H10ClN5O2S and a molecular weight of 323.77 g/mol. Its IUPAC name is 2-chloro-N-(2-methyl-3H-benzimidazol-5-yl)pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(2-methyl-3H-benzimidazol-5-yl)pyrimidine-5-sulfonamide
PubChem CID61053137
Molecular FormulaC12H10ClN5O2S
Molecular Weight323.77 g/mol
Exact Mass323.02
IUPAC Name2-chloro-N-(2-methyl-3H-benzimidazol-5-yl)pyrimidine-5-sulfonamide
SMILESCc1nc2ccc(NS(=O)(=O)c3cnc(Cl)nc3)cc2[nH]1
InChIInChI=1S/C12H10ClN5O2S/c1-7-16-10-3-2-8(4-11(10)17-7)18-21(19,20)9-5-14-12(13)15-6-9/h2-6,18H,1H3,(H,16,17)
InChIKeyVHQYHADDXUZWAX-UHFFFAOYSA-N
XLogP2.12
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.77
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-chloro-N-(2-methyl-3H-benzimidazol-5-yl)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

N-(2-methyl-3H-benzimidazol-5-yl)-1H-pyrazole-4-sulfonamide
CID 61274454
N-(2-methyl-3H-benzimidazol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 110724306
N-(2-methyl-3H-benzimidazol-5-yl)ethanesulfonamide
CID 64584356
N-(2-methyl-3H-benzimidazol-5-yl)-1,3-benzodioxole-5-sulfonamide
CID 110724276
N-(4-tert-butylphenyl)-2-methyl-3H-benzimidazole-5-sulfonamide
CID 110760177
2,3-dimethyl-N-(2-methyl-3H-benzimidazol-5-yl)benzenesulfonamide
CID 142887451
2-bromo-N-(2-methyl-3H-benzimidazol-5-yl)benzenesulfonamide
CID 61215553
1-bromo-N-(2-methyl-3H-benzimidazol-5-yl)methanesulfonamide
CID 83084672
4-methyl-N-(2-methyl-3H-benzimidazol-5-yl)-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 61274456
N-(4-cyanophenyl)-2-methyl-3H-benzimidazole-5-sulfonamide
CID 110760223
2-chloro-N-(4-methyl-3-nitrophenyl)pyrimidine-5-sulfonamide
CID 43456451
2-chloro-N-(3,5-dimethylphenyl)pyrimidine-5-sulfonamide
CID 43456340

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-methyl-3H-benzimidazol-5-yl)pyrimidine-5-sulfonamide?
The IUPAC name of 2-chloro-N-(2-methyl-3H-benzimidazol-5-yl)pyrimidine-5-sulfonamide (CID 61053137) is 2-chloro-N-(2-methyl-3H-benzimidazol-5-yl)pyrimidine-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-(2-methyl-3H-benzimidazol-5-yl)pyrimidine-5-sulfonamide?
The canonical SMILES for 2-chloro-N-(2-methyl-3H-benzimidazol-5-yl)pyrimidine-5-sulfonamide is Cc1nc2ccc(NS(=O)(=O)c3cnc(Cl)nc3)cc2[nH]1.
What is the InChIKey of 2-chloro-N-(2-methyl-3H-benzimidazol-5-yl)pyrimidine-5-sulfonamide?
The InChIKey is VHQYHADDXUZWAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN5O2S/c1-7-16-10-3-2-8(4-11(10)17-7)18-21(19,20)9-5-14-12(13)15-6-9/h2-6,18H,1H3,(H,16,17).
What are the key properties of 2-chloro-N-(2-methyl-3H-benzimidazol-5-yl)pyrimidine-5-sulfonamide?
2-chloro-N-(2-methyl-3H-benzimidazol-5-yl)pyrimidine-5-sulfonamide has a molecular weight of 323.77 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-methyl-3H-benzimidazol-5-yl)pyrimidine-5-sulfonamide is sourced from PubChem (CID 61053137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).