5-methyl-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]thiophene-2-sulfonamide

C14H15N3O2S2 — CID 110785688

IUPAC5-methyl-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]thiophene-2-sulfonamide
SMILESCc1nc2ccc(CNS(=O)(=O)c3ccc(C)s3)cc2[nH]1
InChIInChI=1S/C14H15N3O2S2/c1-9-3-6-14(20-9)21(18,19)15-8-11-4-5-12-13(7-11)17-10(2)16-12/h3-7,15H,8H2,1-2H3,(H,16,17)
InChIKeyDPNJFWJEGUGIJB-UHFFFAOYSA-N
MW321.43 g/mol
LogP2.72
Rot. Bonds4

About 5-methyl-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]thiophene-2-sulfonamide

5-methyl-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]thiophene-2-sulfonamide (PubChem CID 110785688) has the molecular formula C14H15N3O2S2 and a molecular weight of 321.43 g/mol. Its IUPAC name is 5-methyl-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-methyl-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]thiophene-2-sulfonamide
PubChem CID110785688
Molecular FormulaC14H15N3O2S2
Molecular Weight321.43 g/mol
Exact Mass321.06
IUPAC Name5-methyl-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]thiophene-2-sulfonamide
SMILESCc1nc2ccc(CNS(=O)(=O)c3ccc(C)s3)cc2[nH]1
InChIInChI=1S/C14H15N3O2S2/c1-9-3-6-14(20-9)21(18,19)15-8-11-4-5-12-13(7-11)17-10(2)16-12/h3-7,15H,8H2,1-2H3,(H,16,17)
InChIKeyDPNJFWJEGUGIJB-UHFFFAOYSA-N
XLogP2.72
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]benzenesulfonamide
CID 110785691
5-methyl-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]thiophene-2-sulfonamide
CID 110785192
N-[[4-(2-aminoethyl)phenyl]methyl]-5-methylthiophene-2-sulfonamide
CID 62500636
2-methyl-N-(pyridin-4-ylmethyl)-3H-benzimidazole-5-sulfonamide
CID 110760126
(2-methyl-3H-benzimidazol-5-yl)methylcarbamic acid
CID 115170893
N-[[3-(bromomethyl)phenyl]methyl]-5-methylthiophene-2-sulfonamide
CID 113271866
N-[[4-(dimethylamino)-3-fluorophenyl]methyl]-5-methylthiophene-2-sulfonamide
CID 86870469
N-[(3-fluoro-4-methoxyphenyl)methyl]-5-methylthiophene-2-sulfonamide
CID 86984257
2-hydroxy-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]acetamide
CID 115139875
N-methyl-N'-[(2-methyl-3H-benzimidazol-5-yl)methyl]ethane-1,2-diamine
CID 115195888
N-(hydrazinylmethyl)-1-(2-methyl-3H-benzimidazol-5-yl)methanamine
CID 115260836
1-(4-fluorophenyl)-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]methanesulfonamide
CID 110791557

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-methyl-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]thiophene-2-sulfonamide (CID 110785688) is 5-methyl-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-methyl-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-methyl-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]thiophene-2-sulfonamide is Cc1nc2ccc(CNS(=O)(=O)c3ccc(C)s3)cc2[nH]1.
What is the InChIKey of 5-methyl-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]thiophene-2-sulfonamide?
The InChIKey is DPNJFWJEGUGIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S2/c1-9-3-6-14(20-9)21(18,19)15-8-11-4-5-12-13(7-11)17-10(2)16-12/h3-7,15H,8H2,1-2H3,(H,16,17).
What are the key properties of 5-methyl-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]thiophene-2-sulfonamide?
5-methyl-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]thiophene-2-sulfonamide has a molecular weight of 321.43 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 110785688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).