N-[4-(1H-benzimidazol-2-yl)-3-methoxyphenyl]methanesulfonamide

C15H15N3O3S — CID 3021444

IUPACN-[4-(1H-benzimidazol-2-yl)-3-methoxyphenyl]methanesulfonamide
SMILESCOc1cc(NS(C)(=O)=O)ccc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C15H15N3O3S/c1-21-14-9-10(18-22(2,19)20)7-8-11(14)15-16-12-5-3-4-6-13(12)17-15/h3-9,18H,1-2H3,(H,16,17)
InChIKeyFJEZIXJIUBQVQC-UHFFFAOYSA-N
MW317.37 g/mol
LogP2.61
Rot. Bonds4

About N-[4-(1H-benzimidazol-2-yl)-3-methoxyphenyl]methanesulfonamide

N-[4-(1H-benzimidazol-2-yl)-3-methoxyphenyl]methanesulfonamide (PubChem CID 3021444) has the molecular formula C15H15N3O3S and a molecular weight of 317.37 g/mol. Its IUPAC name is N-[4-(1H-benzimidazol-2-yl)-3-methoxyphenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(1H-benzimidazol-2-yl)-3-methoxyphenyl]methanesulfonamide
PubChem CID3021444
Molecular FormulaC15H15N3O3S
Molecular Weight317.37 g/mol
Exact Mass317.08
IUPAC NameN-[4-(1H-benzimidazol-2-yl)-3-methoxyphenyl]methanesulfonamide
SMILESCOc1cc(NS(C)(=O)=O)ccc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C15H15N3O3S/c1-21-14-9-10(18-22(2,19)20)7-8-11(14)15-16-12-5-3-4-6-13(12)17-15/h3-9,18H,1-2H3,(H,16,17)
InChIKeyFJEZIXJIUBQVQC-UHFFFAOYSA-N
XLogP2.61
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-benzimidazol-2-yl)-3-methoxyphenyl]methanesulfonamide?
The IUPAC name of N-[4-(1H-benzimidazol-2-yl)-3-methoxyphenyl]methanesulfonamide (CID 3021444) is N-[4-(1H-benzimidazol-2-yl)-3-methoxyphenyl]methanesulfonamide.
What is the SMILES notation for N-[4-(1H-benzimidazol-2-yl)-3-methoxyphenyl]methanesulfonamide?
The canonical SMILES for N-[4-(1H-benzimidazol-2-yl)-3-methoxyphenyl]methanesulfonamide is COc1cc(NS(C)(=O)=O)ccc1-c1nc2ccccc2[nH]1.
What is the InChIKey of N-[4-(1H-benzimidazol-2-yl)-3-methoxyphenyl]methanesulfonamide?
The InChIKey is FJEZIXJIUBQVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3S/c1-21-14-9-10(18-22(2,19)20)7-8-11(14)15-16-12-5-3-4-6-13(12)17-15/h3-9,18H,1-2H3,(H,16,17).
What are the key properties of N-[4-(1H-benzimidazol-2-yl)-3-methoxyphenyl]methanesulfonamide?
N-[4-(1H-benzimidazol-2-yl)-3-methoxyphenyl]methanesulfonamide has a molecular weight of 317.37 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-benzimidazol-2-yl)-3-methoxyphenyl]methanesulfonamide is sourced from PubChem (CID 3021444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).