3-chloro-5-[3-(2H-tetrazol-5-yl)anilino]thiophene-2-sulfonamide

C11H9ClN6O2S2 — CID 142710697

IUPAC3-chloro-5-[3-(2H-tetrazol-5-yl)anilino]thiophene-2-sulfonamide
SMILESNS(=O)(=O)c1sc(Nc2cccc(-c3nn[nH]n3)c2)cc1Cl
InChIInChI=1S/C11H9ClN6O2S2/c12-8-5-9(21-11(8)22(13,19)20)14-7-3-1-2-6(4-7)10-15-17-18-16-10/h1-5,14H,(H2,13,19,20)(H,15,16,17,18)
InChIKeyKOFINWXXDBQTEV-UHFFFAOYSA-N
MW356.82 g/mol
LogP1.97
Rot. Bonds4

About 3-chloro-5-[3-(2H-tetrazol-5-yl)anilino]thiophene-2-sulfonamide

3-chloro-5-[3-(2H-tetrazol-5-yl)anilino]thiophene-2-sulfonamide (PubChem CID 142710697) has the molecular formula C11H9ClN6O2S2 and a molecular weight of 356.82 g/mol. Its IUPAC name is 3-chloro-5-[3-(2H-tetrazol-5-yl)anilino]thiophene-2-sulfonamide.

Molecular Properties

Compound Name3-chloro-5-[3-(2H-tetrazol-5-yl)anilino]thiophene-2-sulfonamide
PubChem CID142710697
Molecular FormulaC11H9ClN6O2S2
Molecular Weight356.82 g/mol
Exact Mass355.99
IUPAC Name3-chloro-5-[3-(2H-tetrazol-5-yl)anilino]thiophene-2-sulfonamide
SMILESNS(=O)(=O)c1sc(Nc2cccc(-c3nn[nH]n3)c2)cc1Cl
InChIInChI=1S/C11H9ClN6O2S2/c12-8-5-9(21-11(8)22(13,19)20)14-7-3-1-2-6(4-7)10-15-17-18-16-10/h1-5,14H,(H2,13,19,20)(H,15,16,17,18)
InChIKeyKOFINWXXDBQTEV-UHFFFAOYSA-N
XLogP1.97
TPSA126.65 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.82
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

3,4-dichloro-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide
CID 17163668
2-chloro-N-[3-(2H-tetrazol-5-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide
CID 8823439
4-fluoro-N-[3-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide
CID 8823430
3,5-dimethyl-N-[3-(2H-tetrazol-5-yl)phenyl]-1-benzothiophene-2-sulfonamide
CID 56941162
2-phenyl-N-[3-(2H-tetrazol-5-yl)phenyl]ethanesulfonamide
CID 110720322
5-(2-methylphenyl)-N-[3-(2H-tetrazol-5-yl)phenyl]thiophene-2-sulfonamide
CID 56942318
2-chloro-6-fluoro-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide
CID 17165094
ethyl N-[3-(2H-tetrazol-5-yl)phenyl]carbamate
CID 17164270
4-methoxy-N-[3-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide
CID 110720303
3-amino-2-methyl-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide
CID 55104793
(2S)-2-amino-3-methyl-N-[3-(2H-tetrazol-5-yl)phenyl]butanamide
CID 61178824
3-(2H-tetrazol-5-yl)-N-(thiophen-2-ylmethyl)aniline
CID 43732043

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[3-(2H-tetrazol-5-yl)anilino]thiophene-2-sulfonamide?
The IUPAC name of 3-chloro-5-[3-(2H-tetrazol-5-yl)anilino]thiophene-2-sulfonamide (CID 142710697) is 3-chloro-5-[3-(2H-tetrazol-5-yl)anilino]thiophene-2-sulfonamide.
What is the SMILES notation for 3-chloro-5-[3-(2H-tetrazol-5-yl)anilino]thiophene-2-sulfonamide?
The canonical SMILES for 3-chloro-5-[3-(2H-tetrazol-5-yl)anilino]thiophene-2-sulfonamide is NS(=O)(=O)c1sc(Nc2cccc(-c3nn[nH]n3)c2)cc1Cl.
What is the InChIKey of 3-chloro-5-[3-(2H-tetrazol-5-yl)anilino]thiophene-2-sulfonamide?
The InChIKey is KOFINWXXDBQTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN6O2S2/c12-8-5-9(21-11(8)22(13,19)20)14-7-3-1-2-6(4-7)10-15-17-18-16-10/h1-5,14H,(H2,13,19,20)(H,15,16,17,18).
What are the key properties of 3-chloro-5-[3-(2H-tetrazol-5-yl)anilino]thiophene-2-sulfonamide?
3-chloro-5-[3-(2H-tetrazol-5-yl)anilino]thiophene-2-sulfonamide has a molecular weight of 356.82 g/mol, XLogP of 1.97, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[3-(2H-tetrazol-5-yl)anilino]thiophene-2-sulfonamide is sourced from PubChem (CID 142710697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).