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

C10H9ClN2O2S2 — CID 847131

IUPAC4-chloro-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
SMILESCc1csc(NS(=O)(=O)c2ccc(Cl)cc2)n1
InChIInChI=1S/C10H9ClN2O2S2/c1-7-6-16-10(12-7)13-17(14,15)9-4-2-8(11)3-5-9/h2-6H,1H3,(H,12,13)
InChIKeyXXOYUNQCBYNWNL-UHFFFAOYSA-N
MW288.78 g/mol
LogP2.91
Rot. Bonds3

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

4-chloro-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 847131) has the molecular formula C10H9ClN2O2S2 and a molecular weight of 288.78 g/mol. Its IUPAC name is 4-chloro-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID847131
Molecular FormulaC10H9ClN2O2S2
Molecular Weight288.78 g/mol
Exact Mass287.98
IUPAC Name4-chloro-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
SMILESCc1csc(NS(=O)(=O)c2ccc(Cl)cc2)n1
InChIInChI=1S/C10H9ClN2O2S2/c1-7-6-16-10(12-7)13-17(14,15)9-4-2-8(11)3-5-9/h2-6H,1H3,(H,12,13)
InChIKeyXXOYUNQCBYNWNL-UHFFFAOYSA-N
XLogP2.91
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzene-1-sulfonamide
CID 23603416
4-Chloro-N-thiazol-2-yl-benzenesulfonamide
CID 306826
4-[1-(4-Chlorophenyl)sulfonylpyrrolidin-2-yl]-1,3-thiazol-2-amine
CID 2998200
N'-(benzenesulfonyl)-3-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]propanimidamide
CID 13949560
[2-(4-Chloro-benzenesulfonylamino)-thiazol-4-yl]-acetic acid ethyl ester
CID 1101318
N-(5-bromo-4-tert-butyl-1,3-thiazol-2-yl)-4-chlorobenzenesulfonamide
CID 11165755
4-methyl-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 742422
4-{[(4-Chlorophenyl)sulfonyl]methyl}-1,3-thiazol-2-amine
CID 750249
4-[(4-Chlorophenyl)sulfonylmethyl]-2-propan-2-yl-1,3-thiazole
CID 47038679
4-(benzenesulfonylmethyl)-N-methyl-1,3-thiazol-2-amine
CID 72010885
2,4-dichloro-N-[4-methyl-5-(2,2,2-trichloroethyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 171344784
3-chloro-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 838729

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide (CID 847131) is 4-chloro-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide is Cc1csc(NS(=O)(=O)c2ccc(Cl)cc2)n1.
What is the InChIKey of 4-chloro-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is XXOYUNQCBYNWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O2S2/c1-7-6-16-10(12-7)13-17(14,15)9-4-2-8(11)3-5-9/h2-6H,1H3,(H,12,13).
What are the key properties of 4-chloro-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide?
4-chloro-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 288.78 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 847131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).