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

C15H13ClN2O2S3 — CID 50835873

IUPACN-(3-chlorophenyl)-2-methyl-5-(4-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide
SMILESCc1csc(-c2cc(S(=O)(=O)Nc3cccc(Cl)c3)c(C)s2)n1
InChIInChI=1S/C15H13ClN2O2S3/c1-9-8-21-15(17-9)13-7-14(10(2)22-13)23(19,20)18-12-5-3-4-11(16)6-12/h3-8,18H,1-2H3
InChIKeyXUSAXKFYPLMDMU-UHFFFAOYSA-N
MW384.94 g/mol
LogP4.94
Rot. Bonds4

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

N-(3-chlorophenyl)-2-methyl-5-(4-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide (PubChem CID 50835873) has the molecular formula C15H13ClN2O2S3 and a molecular weight of 384.94 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-methyl-5-(4-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-methyl-5-(4-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide
PubChem CID50835873
Molecular FormulaC15H13ClN2O2S3
Molecular Weight384.94 g/mol
Exact Mass383.98
IUPAC NameN-(3-chlorophenyl)-2-methyl-5-(4-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide
SMILESCc1csc(-c2cc(S(=O)(=O)Nc3cccc(Cl)c3)c(C)s2)n1
InChIInChI=1S/C15H13ClN2O2S3/c1-9-8-21-15(17-9)13-7-14(10(2)22-13)23(19,20)18-12-5-3-4-11(16)6-12/h3-8,18H,1-2H3
InChIKeyXUSAXKFYPLMDMU-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

N-{[2-(2-thienyl)-1,3-thiazol-4-yl]methyl}benzenesulfonamide
CID 2738759
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
acs.jmedchem.1c00409_ST.589
CID 162533870
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
2-[2-(4-fluorophenyl)-4-oxo-3,4-dihydro-5H-pyrido[2,3-b][1,4]diazepin-5-yl]-N-(4-isopropylphenyl)acetamide
CID 50844141
4-(4-tert-butyl-1,3-thiazol-2-yl)-N-(4-chloro-2-fluorophenyl)thiophene-2-sulfonamide
CID 50839040

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-methyl-5-(4-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide?
The IUPAC name of N-(3-chlorophenyl)-2-methyl-5-(4-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide (CID 50835873) is N-(3-chlorophenyl)-2-methyl-5-(4-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-methyl-5-(4-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide?
The canonical SMILES for N-(3-chlorophenyl)-2-methyl-5-(4-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide is Cc1csc(-c2cc(S(=O)(=O)Nc3cccc(Cl)c3)c(C)s2)n1.
What is the InChIKey of N-(3-chlorophenyl)-2-methyl-5-(4-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide?
The InChIKey is XUSAXKFYPLMDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O2S3/c1-9-8-21-15(17-9)13-7-14(10(2)22-13)23(19,20)18-12-5-3-4-11(16)6-12/h3-8,18H,1-2H3.
What are the key properties of N-(3-chlorophenyl)-2-methyl-5-(4-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide?
N-(3-chlorophenyl)-2-methyl-5-(4-methyl-1,3-thiazol-2-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-(3-chlorophenyl)-2-methyl-5-(4-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide is sourced from PubChem (CID 50835873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).