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

C13H15ClN2O3S2 — CID 110758289

IUPAC3-chloro-N-(4-methyl-1,3-thiazol-2-yl)-4-propan-2-yloxybenzenesulfonamide
SMILESCc1csc(NS(=O)(=O)c2ccc(OC(C)C)c(Cl)c2)n1
InChIInChI=1S/C13H15ClN2O3S2/c1-8(2)19-12-5-4-10(6-11(12)14)21(17,18)16-13-15-9(3)7-20-13/h4-8H,1-3H3,(H,15,16)
InChIKeyKGJGWPZYCMRTOD-UHFFFAOYSA-N
MW346.86 g/mol
LogP3.69
Rot. Bonds5

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

3-chloro-N-(4-methyl-1,3-thiazol-2-yl)-4-propan-2-yloxybenzenesulfonamide (PubChem CID 110758289) has the molecular formula C13H15ClN2O3S2 and a molecular weight of 346.86 g/mol. Its IUPAC name is 3-chloro-N-(4-methyl-1,3-thiazol-2-yl)-4-propan-2-yloxybenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(4-methyl-1,3-thiazol-2-yl)-4-propan-2-yloxybenzenesulfonamide
PubChem CID110758289
Molecular FormulaC13H15ClN2O3S2
Molecular Weight346.86 g/mol
Exact Mass346.02
IUPAC Name3-chloro-N-(4-methyl-1,3-thiazol-2-yl)-4-propan-2-yloxybenzenesulfonamide
SMILESCc1csc(NS(=O)(=O)c2ccc(OC(C)C)c(Cl)c2)n1
InChIInChI=1S/C13H15ClN2O3S2/c1-8(2)19-12-5-4-10(6-11(12)14)21(17,18)16-13-15-9(3)7-20-13/h4-8H,1-3H3,(H,15,16)
InChIKeyKGJGWPZYCMRTOD-UHFFFAOYSA-N
XLogP3.69
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dichloro-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 25047855
N-[(Z)-(3-chloro-4-propan-2-yloxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 110538141
3-chloro-4-(difluoromethoxy)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
CID 55904028
4-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 43135540
3-amino-4-bromo-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 115328636
2-chloro-N-(4-methyl-1,3-thiazol-2-yl)pyrimidine-5-sulfonamide
CID 43456367
4-methyl-N-(4-methyl-1,3-thiazol-2-yl)-3-nitrobenzenesulfonamide
CID 3820035
N-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzenesulfonamide
CID 74227200
(2R)-2-(2,4-dichlorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 7939457
6-methoxy-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-sulfonamide
CID 99837871
3-chloro-4-methoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 163351568
2-fluoro-5-[(4-methyl-1,3-thiazol-2-yl)sulfamoyl]benzenecarbothioamide
CID 63288690

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(4-methyl-1,3-thiazol-2-yl)-4-propan-2-yloxybenzenesulfonamide?
The IUPAC name of 3-chloro-N-(4-methyl-1,3-thiazol-2-yl)-4-propan-2-yloxybenzenesulfonamide (CID 110758289) is 3-chloro-N-(4-methyl-1,3-thiazol-2-yl)-4-propan-2-yloxybenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(4-methyl-1,3-thiazol-2-yl)-4-propan-2-yloxybenzenesulfonamide?
The canonical SMILES for 3-chloro-N-(4-methyl-1,3-thiazol-2-yl)-4-propan-2-yloxybenzenesulfonamide is Cc1csc(NS(=O)(=O)c2ccc(OC(C)C)c(Cl)c2)n1.
What is the InChIKey of 3-chloro-N-(4-methyl-1,3-thiazol-2-yl)-4-propan-2-yloxybenzenesulfonamide?
The InChIKey is KGJGWPZYCMRTOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O3S2/c1-8(2)19-12-5-4-10(6-11(12)14)21(17,18)16-13-15-9(3)7-20-13/h4-8H,1-3H3,(H,15,16).
What are the key properties of 3-chloro-N-(4-methyl-1,3-thiazol-2-yl)-4-propan-2-yloxybenzenesulfonamide?
3-chloro-N-(4-methyl-1,3-thiazol-2-yl)-4-propan-2-yloxybenzenesulfonamide has a molecular weight of 346.86 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(4-methyl-1,3-thiazol-2-yl)-4-propan-2-yloxybenzenesulfonamide is sourced from PubChem (CID 110758289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).