5-chloro-N-[3-(1H-imidazol-2-yl)phenyl]thiophene-2-sulfonamide

C13H10ClN3O2S2 — CID 110726466

IUPAC5-chloro-N-[3-(1H-imidazol-2-yl)phenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1cccc(-c2ncc[nH]2)c1)c1ccc(Cl)s1
InChIInChI=1S/C13H10ClN3O2S2/c14-11-4-5-12(20-11)21(18,19)17-10-3-1-2-9(8-10)13-15-6-7-16-13/h1-8,17H,(H,15,16)
InChIKeyWNFMXFVLAFTJAY-UHFFFAOYSA-N
MW339.83 g/mol
LogP3.59
Rot. Bonds4

About 5-chloro-N-[3-(1H-imidazol-2-yl)phenyl]thiophene-2-sulfonamide

5-chloro-N-[3-(1H-imidazol-2-yl)phenyl]thiophene-2-sulfonamide (PubChem CID 110726466) has the molecular formula C13H10ClN3O2S2 and a molecular weight of 339.83 g/mol. Its IUPAC name is 5-chloro-N-[3-(1H-imidazol-2-yl)phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[3-(1H-imidazol-2-yl)phenyl]thiophene-2-sulfonamide
PubChem CID110726466
Molecular FormulaC13H10ClN3O2S2
Molecular Weight339.83 g/mol
Exact Mass338.99
IUPAC Name5-chloro-N-[3-(1H-imidazol-2-yl)phenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1cccc(-c2ncc[nH]2)c1)c1ccc(Cl)s1
InChIInChI=1S/C13H10ClN3O2S2/c14-11-4-5-12(20-11)21(18,19)17-10-3-1-2-9(8-10)13-15-6-7-16-13/h1-8,17H,(H,15,16)
InChIKeyWNFMXFVLAFTJAY-UHFFFAOYSA-N
XLogP3.59
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.83
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[3-(1H-imidazol-2-yl)phenyl]benzenesulfonamide
CID 110726450
5-chloro-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]thiophene-2-sulfonamide
CID 22576140
5-chloro-N-pyrimidin-2-ylthiophene-2-sulfonamide
CID 19683573
N-[3-(1H-imidazol-2-yl)phenyl]-3-phenylpropane-1-sulfonamide
CID 110726477
5-chloro-N-(1H-imidazol-2-ylmethyl)thiophene-2-sulfonamide
CID 64529732
5-chloro-N-(3-pyrrolidin-1-ylphenyl)thiophene-2-sulfonamide
CID 110361652
5-chloro-N-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]thiophene-2-sulfonamide
CID 25073246
5-chloro-N-(2-chloro-3-pyridinyl)thiophene-2-sulfonamide
CID 4729238
5-chloro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiophene-2-sulfonamide
CID 3659033
N-(5-bromo-6-chloro-3-pyridinyl)-5-chlorothiophene-2-sulfonamide
CID 104826704
5-chloro-N-(1H-indazol-6-yl)thiophene-2-sulfonamide
CID 2444866
5-chloro-N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]thiophene-2-sulfonamide
CID 91423127

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-(1H-imidazol-2-yl)phenyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[3-(1H-imidazol-2-yl)phenyl]thiophene-2-sulfonamide (CID 110726466) is 5-chloro-N-[3-(1H-imidazol-2-yl)phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[3-(1H-imidazol-2-yl)phenyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[3-(1H-imidazol-2-yl)phenyl]thiophene-2-sulfonamide is O=S(=O)(Nc1cccc(-c2ncc[nH]2)c1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[3-(1H-imidazol-2-yl)phenyl]thiophene-2-sulfonamide?
The InChIKey is WNFMXFVLAFTJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O2S2/c14-11-4-5-12(20-11)21(18,19)17-10-3-1-2-9(8-10)13-15-6-7-16-13/h1-8,17H,(H,15,16).
What are the key properties of 5-chloro-N-[3-(1H-imidazol-2-yl)phenyl]thiophene-2-sulfonamide?
5-chloro-N-[3-(1H-imidazol-2-yl)phenyl]thiophene-2-sulfonamide has a molecular weight of 339.83 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-(1H-imidazol-2-yl)phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 110726466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).