3-benzylsulfonyl-5-chloro-1H-benzimidazol-2-one

Name: 3-benzylsulfonyl-5-chloro-1H-benzimidazol-2-one — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₄H₁₁ClN₂O₃S — CID 134815279

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC3-benzylsulfonyl-5-chloro-1H-benzimidazol-2-one

SMILESO=c1[nH]c2ccc(Cl)cc2n1S(=O)(=O)Cc1ccccc1

InChIInChI=1S/C14H11ClN2O3S/c15-11-6-7-12-13(8-11)17(14(18)16-12)21(19,20)9-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,18)

InChIKeyJWZXUYKWSNOISR-UHFFFAOYSA-N

MW322.77 g/mol

LogP2.36

Rot. Bonds3

About 3-benzylsulfonyl-5-chloro-1H-benzimidazol-2-one

3-benzylsulfonyl-5-chloro-1H-benzimidazol-2-one (PubChem CID 134815279) has the molecular formula C₁₄H₁₁ClN₂O₃S and a molecular weight of 322.77 g/mol. Its IUPAC name is 3-benzylsulfonyl-5-chloro-1H-benzimidazol-2-one.

Molecular Properties

Compound Name	3-benzylsulfonyl-5-chloro-1H-benzimidazol-2-one
PubChem CID	134815279
Molecular Formula	C₁₄H₁₁ClN₂O₃S
Molecular Weight	322.77 g/mol
Exact Mass	322.02
IUPAC Name	3-benzylsulfonyl-5-chloro-1H-benzimidazol-2-one
SMILES	O=c1[nH]c2ccc(Cl)cc2n1S(=O)(=O)Cc1ccccc1
InChI	InChI=1S/C14H11ClN2O3S/c15-11-6-7-12-13(8-11)17(14(18)16-12)21(19,20)9-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,18)
InChIKey	JWZXUYKWSNOISR-UHFFFAOYSA-N
XLogP	2.36
TPSA	71.93 Å²
H-Bond Donors	1
H-Bond Acceptors	4
Rotatable Bonds	3
Heavy Atoms	21
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	322.77
LogP ≤ 5	2.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-benzylsulfonyl-5-chloro-1H-benzimidazol-2-one?

The IUPAC name of 3-benzylsulfonyl-5-chloro-1H-benzimidazol-2-one (CID 134815279) is 3-benzylsulfonyl-5-chloro-1H-benzimidazol-2-one.

What is the SMILES notation for 3-benzylsulfonyl-5-chloro-1H-benzimidazol-2-one?

The canonical SMILES for 3-benzylsulfonyl-5-chloro-1H-benzimidazol-2-one is O=c1[nH]c2ccc(Cl)cc2n1S(=O)(=O)Cc1ccccc1.

What is the InChIKey of 3-benzylsulfonyl-5-chloro-1H-benzimidazol-2-one?

The InChIKey is JWZXUYKWSNOISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O3S/c15-11-6-7-12-13(8-11)17(14(18)16-12)21(19,20)9-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,18).

What are the key properties of 3-benzylsulfonyl-5-chloro-1H-benzimidazol-2-one?

3-benzylsulfonyl-5-chloro-1H-benzimidazol-2-one has a molecular weight of 322.77 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-benzylsulfonyl-5-chloro-1H-benzimidazol-2-one is sourced from PubChem (CID 134815279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 134815279 — identifiers, structure, computed properties (public domain)

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