5-chloro-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]thiophene-2-sulfonamide

C14H11ClN2O2S3 — CID 122286623

IUPAC5-chloro-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]thiophene-2-sulfonamide
SMILESCc1nc(-c2ccc(NS(=O)(=O)c3ccc(Cl)s3)cc2)cs1
InChIInChI=1S/C14H11ClN2O2S3/c1-9-16-12(8-20-9)10-2-4-11(5-3-10)17-22(18,19)14-7-6-13(15)21-14/h2-8,17H,1H3
InChIKeyQXYQQVLTMNNJSG-UHFFFAOYSA-N
MW370.91 g/mol
LogP4.63
Rot. Bonds4

About 5-chloro-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]thiophene-2-sulfonamide

5-chloro-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]thiophene-2-sulfonamide (PubChem CID 122286623) has the molecular formula C14H11ClN2O2S3 and a molecular weight of 370.91 g/mol. Its IUPAC name is 5-chloro-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]thiophene-2-sulfonamide
PubChem CID122286623
Molecular FormulaC14H11ClN2O2S3
Molecular Weight370.91 g/mol
Exact Mass369.97
IUPAC Name5-chloro-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]thiophene-2-sulfonamide
SMILESCc1nc(-c2ccc(NS(=O)(=O)c3ccc(Cl)s3)cc2)cs1
InChIInChI=1S/C14H11ClN2O2S3/c1-9-16-12(8-20-9)10-2-4-11(5-3-10)17-22(18,19)14-7-6-13(15)21-14/h2-8,17H,1H3
InChIKeyQXYQQVLTMNNJSG-UHFFFAOYSA-N
XLogP4.63
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.91
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-4-[4-(sulfamoylamino)phenyl]-1,3-thiazole
CID 112573169
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CID 55589335
2-methoxy-5-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 8841457
5-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide
CID 110717446
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butane-1-sulfonamide
CID 108780480
3-[4-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfamoyl]phenyl]propanoate
CID 8841474
4-(2,5-dioxopyrrolidin-1-yl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 122286657
3-(methanesulfonamido)-2,4,6-trimethyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 55896668
3-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfamoyl]benzoic acid
CID 8841398
N-methyl-4-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 134350753
N-(3-chloro-4-methoxyphenyl)-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 20974263
5-chloro-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]thiophene-2-sulfonamide
CID 19683779

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]thiophene-2-sulfonamide (CID 122286623) is 5-chloro-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]thiophene-2-sulfonamide is Cc1nc(-c2ccc(NS(=O)(=O)c3ccc(Cl)s3)cc2)cs1.
What is the InChIKey of 5-chloro-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]thiophene-2-sulfonamide?
The InChIKey is QXYQQVLTMNNJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O2S3/c1-9-16-12(8-20-9)10-2-4-11(5-3-10)17-22(18,19)14-7-6-13(15)21-14/h2-8,17H,1H3.
What are the key properties of 5-chloro-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]thiophene-2-sulfonamide?
5-chloro-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]thiophene-2-sulfonamide has a molecular weight of 370.91 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 122286623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).