N-(1H-benzimidazol-2-ylmethyl)-N-methylthiophene-2-sulfonamide

C13H13N3O2S2 — CID 35385383

IUPACN-(1H-benzimidazol-2-ylmethyl)-N-methylthiophene-2-sulfonamide
SMILESCN(Cc1nc2ccccc2[nH]1)S(=O)(=O)c1cccs1
InChIInChI=1S/C13H13N3O2S2/c1-16(20(17,18)13-7-4-8-19-13)9-12-14-10-5-2-3-6-11(10)15-12/h2-8H,9H2,1H3,(H,14,15)
InChIKeyRUSFYJWYQIHQBC-UHFFFAOYSA-N
MW307.40 g/mol
LogP2.45
Rot. Bonds4

About N-(1H-benzimidazol-2-ylmethyl)-N-methylthiophene-2-sulfonamide

N-(1H-benzimidazol-2-ylmethyl)-N-methylthiophene-2-sulfonamide (PubChem CID 35385383) has the molecular formula C13H13N3O2S2 and a molecular weight of 307.40 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-N-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-N-methylthiophene-2-sulfonamide
PubChem CID35385383
Molecular FormulaC13H13N3O2S2
Molecular Weight307.40 g/mol
Exact Mass307.04
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-N-methylthiophene-2-sulfonamide
SMILESCN(Cc1nc2ccccc2[nH]1)S(=O)(=O)c1cccs1
InChIInChI=1S/C13H13N3O2S2/c1-16(20(17,18)13-7-4-8-19-13)9-12-14-10-5-2-3-6-11(10)15-12/h2-8H,9H2,1H3,(H,14,15)
InChIKeyRUSFYJWYQIHQBC-UHFFFAOYSA-N
XLogP2.45
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-N-methylthiophene-2-sulfonamide?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-N-methylthiophene-2-sulfonamide (CID 35385383) is N-(1H-benzimidazol-2-ylmethyl)-N-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-N-methylthiophene-2-sulfonamide?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-N-methylthiophene-2-sulfonamide is CN(Cc1nc2ccccc2[nH]1)S(=O)(=O)c1cccs1.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-N-methylthiophene-2-sulfonamide?
The InChIKey is RUSFYJWYQIHQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2S2/c1-16(20(17,18)13-7-4-8-19-13)9-12-14-10-5-2-3-6-11(10)15-12/h2-8H,9H2,1H3,(H,14,15).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-N-methylthiophene-2-sulfonamide?
N-(1H-benzimidazol-2-ylmethyl)-N-methylthiophene-2-sulfonamide has a molecular weight of 307.40 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-N-methylthiophene-2-sulfonamide is sourced from PubChem (CID 35385383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).