4-chloro-N-[3-(1H-imidazol-2-yl)phenyl]benzenesulfonamide

C15H12ClN3O2S — CID 110726450

IUPAC4-chloro-N-[3-(1H-imidazol-2-yl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(-c2ncc[nH]2)c1)c1ccc(Cl)cc1
InChIInChI=1S/C15H12ClN3O2S/c16-12-4-6-14(7-5-12)22(20,21)19-13-3-1-2-11(10-13)15-17-8-9-18-15/h1-10,19H,(H,17,18)
InChIKeyGOCZAZASIGZBQJ-UHFFFAOYSA-N
MW333.80 g/mol
LogP3.53
Rot. Bonds4

About 4-chloro-N-[3-(1H-imidazol-2-yl)phenyl]benzenesulfonamide

4-chloro-N-[3-(1H-imidazol-2-yl)phenyl]benzenesulfonamide (PubChem CID 110726450) has the molecular formula C15H12ClN3O2S and a molecular weight of 333.80 g/mol. Its IUPAC name is 4-chloro-N-[3-(1H-imidazol-2-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[3-(1H-imidazol-2-yl)phenyl]benzenesulfonamide
PubChem CID110726450
Molecular FormulaC15H12ClN3O2S
Molecular Weight333.80 g/mol
Exact Mass333.03
IUPAC Name4-chloro-N-[3-(1H-imidazol-2-yl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(-c2ncc[nH]2)c1)c1ccc(Cl)cc1
InChIInChI=1S/C15H12ClN3O2S/c16-12-4-6-14(7-5-12)22(20,21)19-13-3-1-2-11(10-13)15-17-8-9-18-15/h1-10,19H,(H,17,18)
InChIKeyGOCZAZASIGZBQJ-UHFFFAOYSA-N
XLogP3.53
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.80
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-[3-(1H-imidazol-2-yl)phenyl]thiophene-2-sulfonamide
CID 110726466
N-[3-(1H-imidazol-2-yl)phenyl]-3-phenylpropane-1-sulfonamide
CID 110726477
N-[4-(1H-imidazol-2-yl)phenyl]-3,4-dimethylbenzenesulfonamide
CID 110726562
4-chloro-N-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]benzenesulfonamide
CID 55864644
N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-chlorobenzenesulfonamide
CID 1255601
3-[(4-chlorophenyl)sulfonylamino]benzoic acid
CID 773554
4-chloro-N-(3-methoxyphenyl)benzenesulfonamide
CID 819759
4-chloro-N-[3-[pyridin-4-yl(pyrimidin-2-yl)amino]phenyl]benzenesulfonamide
CID 91164605
4-chloro-N-pyrimidin-2-ylbenzenesulfonamide
CID 935725
4-chloro-N-phenylbenzenesulfonamide;ethane
CID 91229233
N-[3-(1H-benzimidazol-2-yl)phenyl]-4-bromobenzenesulfonamide
CID 100580950
2-amino-N-[3-(1H-imidazol-2-yl)phenyl]acetamide
CID 110470050

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-(1H-imidazol-2-yl)phenyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[3-(1H-imidazol-2-yl)phenyl]benzenesulfonamide (CID 110726450) is 4-chloro-N-[3-(1H-imidazol-2-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[3-(1H-imidazol-2-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[3-(1H-imidazol-2-yl)phenyl]benzenesulfonamide is O=S(=O)(Nc1cccc(-c2ncc[nH]2)c1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[3-(1H-imidazol-2-yl)phenyl]benzenesulfonamide?
The InChIKey is GOCZAZASIGZBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O2S/c16-12-4-6-14(7-5-12)22(20,21)19-13-3-1-2-11(10-13)15-17-8-9-18-15/h1-10,19H,(H,17,18).
What are the key properties of 4-chloro-N-[3-(1H-imidazol-2-yl)phenyl]benzenesulfonamide?
4-chloro-N-[3-(1H-imidazol-2-yl)phenyl]benzenesulfonamide has a molecular weight of 333.80 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-(1H-imidazol-2-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 110726450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).