4-chloro-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]benzenesulfonamide

C14H11ClN2O2S3 — CID 2738778

IUPAC4-chloro-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1csc(-c2cccs2)n1)c1ccc(Cl)cc1
InChIInChI=1S/C14H11ClN2O2S3/c15-10-3-5-12(6-4-10)22(18,19)16-8-11-9-21-14(17-11)13-2-1-7-20-13/h1-7,9,16H,8H2
InChIKeyMMZPFRDPFBXABJ-UHFFFAOYSA-N
MW370.91 g/mol
LogP4.00
Rot. Bonds5

About 4-chloro-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]benzenesulfonamide

4-chloro-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]benzenesulfonamide (PubChem CID 2738778) has the molecular formula C14H11ClN2O2S3 and a molecular weight of 370.91 g/mol. Its IUPAC name is 4-chloro-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
PubChem CID2738778
Molecular FormulaC14H11ClN2O2S3
Molecular Weight370.91 g/mol
Exact Mass369.97
IUPAC Name4-chloro-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1csc(-c2cccs2)n1)c1ccc(Cl)cc1
InChIInChI=1S/C14H11ClN2O2S3/c15-10-3-5-12(6-4-10)22(18,19)16-8-11-9-21-14(17-11)13-2-1-7-20-13/h1-7,9,16H,8H2
InChIKeyMMZPFRDPFBXABJ-UHFFFAOYSA-N
XLogP4.00
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.91
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-{[2-(2-thienyl)-1,3-thiazol-4-yl]methyl}-2-thiophenesulfonamide
CID 2738769
4-methyl-N-{[2-(2-thienyl)-1,3-thiazol-4-yl]methyl}benzenesulfonamide
CID 2812981
4-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzene-1-sulfonamide
CID 23603416
N-{[2-(2-thienyl)-1,3-thiazol-4-yl]methyl}benzenesulfonamide
CID 2738759
4-(5-Chlorothiophen-2-yl)-2-[(thiophene-2-sulfonyl)methyl]-1,3-thiazole hydrobromide
CID 2809433
2-[4-(4-Chlorophenylsulfonyl)-Phenyl}-thiazole-4-yl-methyl-sulfamide, 2b
CID 57340179
4-[1-(4-Chlorophenyl)sulfonylpyrrolidin-2-yl]-1,3-thiazol-2-amine
CID 2998200
5-ethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide
CID 3243477
5-chloro-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide
CID 5310037
4-Chloro-N-{2-[2-(4-fluorophenyl)-1,3-thiazol-4-YL]ethyl}benzene-1-sulfonamide
CID 7522038
4-(5-Chlorothiophen-2-yl)-2-(thiophen-2-ylsulfonylmethyl)-1,3-thiazole bromide
CID 44415172
4-[(4-Chlorophenyl)sulfanylmethyl]-2-thiophen-3-yl-1,3-thiazole
CID 2740511

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]benzenesulfonamide (CID 2738778) is 4-chloro-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]benzenesulfonamide is O=S(=O)(NCc1csc(-c2cccs2)n1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]benzenesulfonamide?
The InChIKey is MMZPFRDPFBXABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O2S3/c15-10-3-5-12(6-4-10)22(18,19)16-8-11-9-21-14(17-11)13-2-1-7-20-13/h1-7,9,16H,8H2.
What are the key properties of 4-chloro-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]benzenesulfonamide?
4-chloro-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]benzenesulfonamide has a molecular weight of 370.91 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 2738778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).