N-(4-chlorophenyl)-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)thiophene-3-sulfonamide

C15H13ClN2O2S3 — CID 53139159

IUPACN-(4-chlorophenyl)-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)thiophene-3-sulfonamide
SMILESCc1nc(-c2cc(S(=O)(=O)Nc3ccc(Cl)cc3)c(C)s2)cs1
InChIInChI=1S/C15H13ClN2O2S3/c1-9-15(7-14(22-9)13-8-21-10(2)17-13)23(19,20)18-12-5-3-11(16)4-6-12/h3-8,18H,1-2H3
InChIKeyJYYRXPFNFCMJHB-UHFFFAOYSA-N
MW384.94 g/mol
LogP4.94
Rot. Bonds4

About N-(4-chlorophenyl)-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)thiophene-3-sulfonamide

N-(4-chlorophenyl)-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)thiophene-3-sulfonamide (PubChem CID 53139159) has the molecular formula C15H13ClN2O2S3 and a molecular weight of 384.94 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)thiophene-3-sulfonamide
PubChem CID53139159
Molecular FormulaC15H13ClN2O2S3
Molecular Weight384.94 g/mol
Exact Mass383.98
IUPAC NameN-(4-chlorophenyl)-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)thiophene-3-sulfonamide
SMILESCc1nc(-c2cc(S(=O)(=O)Nc3ccc(Cl)cc3)c(C)s2)cs1
InChIInChI=1S/C15H13ClN2O2S3/c1-9-15(7-14(22-9)13-8-21-10(2)17-13)23(19,20)18-12-5-3-11(16)4-6-12/h3-8,18H,1-2H3
InChIKeyJYYRXPFNFCMJHB-UHFFFAOYSA-N
XLogP4.94
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.94
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(6-Chlorobenzothiazol-2-yl)thiophene-2-sulfonamide
CID 11551670
N-(4-bromo-2-chlorophenyl)-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide
CID 2795741
4-(5-Chlorothiophen-2-yl)-2-[(thiophene-2-sulfonyl)methyl]-1,3-thiazole hydrobromide
CID 2809433
4-chloro-N-{[2-(2-thienyl)-1,3-thiazol-4-yl]methyl}benzenesulfonamide
CID 2738778
5-chloro-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide
CID 5310037
N-[3-(aminosulfonyl)phenyl]-5-(2-methyl-1,3-thiazol-4-yl)-2-thiophenesulfonamide
CID 2813176
5-chloro-N-(2-(methylthio)benzo[d]thiazol-6-yl)thiophene-2-sulfonamide
CID 2098634
4-[4-(4-Chloro-phenyl)-thiazol-2-yl]-5-methanesulfonyl-thiophene-2-carboxamidine
CID 18537035
4-[[4-(5-Chlorothiophen-2-yl)-1,3-thiazol-2-yl]amino]benzenesulfonamide
CID 40042271
4-(5-Chlorothiophen-2-yl)-2-(thiophen-2-ylsulfonylmethyl)-1,3-thiazole bromide
CID 44415172
4-(2-Chlorophenyl)-2-(thiophen-2-ylsulfonylmethyl)-1,3-thiazole
CID 2819918
N-(3-fluoro-4-methylphenyl)-2-methyl-5-(4-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide
CID 50835751

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)thiophene-3-sulfonamide?
The IUPAC name of N-(4-chlorophenyl)-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)thiophene-3-sulfonamide (CID 53139159) is N-(4-chlorophenyl)-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)thiophene-3-sulfonamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)thiophene-3-sulfonamide?
The canonical SMILES for N-(4-chlorophenyl)-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)thiophene-3-sulfonamide is Cc1nc(-c2cc(S(=O)(=O)Nc3ccc(Cl)cc3)c(C)s2)cs1.
What is the InChIKey of N-(4-chlorophenyl)-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)thiophene-3-sulfonamide?
The InChIKey is JYYRXPFNFCMJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O2S3/c1-9-15(7-14(22-9)13-8-21-10(2)17-13)23(19,20)18-12-5-3-11(16)4-6-12/h3-8,18H,1-2H3.
What are the key properties of N-(4-chlorophenyl)-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)thiophene-3-sulfonamide?
N-(4-chlorophenyl)-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)thiophene-3-sulfonamide has a molecular weight of 384.94 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)thiophene-3-sulfonamide is sourced from PubChem (CID 53139159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).