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

C12H11ClF2N2O3S2 — CID 55904028

IUPAC3-chloro-4-(difluoromethoxy)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
SMILESCc1csc(CNS(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)n1
InChIInChI=1S/C12H11ClF2N2O3S2/c1-7-6-21-11(17-7)5-16-22(18,19)8-2-3-10(9(13)4-8)20-12(14)15/h2-4,6,12,16H,5H2,1H3
InChIKeyGAKAXEGFCHFNMP-UHFFFAOYSA-N
MW368.81 g/mol
LogP3.18
Rot. Bonds6

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

3-chloro-4-(difluoromethoxy)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide (PubChem CID 55904028) has the molecular formula C12H11ClF2N2O3S2 and a molecular weight of 368.81 g/mol. Its IUPAC name is 3-chloro-4-(difluoromethoxy)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-(difluoromethoxy)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
PubChem CID55904028
Molecular FormulaC12H11ClF2N2O3S2
Molecular Weight368.81 g/mol
Exact Mass367.99
IUPAC Name3-chloro-4-(difluoromethoxy)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
SMILESCc1csc(CNS(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)n1
InChIInChI=1S/C12H11ClF2N2O3S2/c1-7-6-21-11(17-7)5-16-22(18,19)8-2-3-10(9(13)4-8)20-12(14)15/h2-4,6,12,16H,5H2,1H3
InChIKeyGAKAXEGFCHFNMP-UHFFFAOYSA-N
XLogP3.18
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.81
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-4-[(4-methyl-1,3-thiazol-2-yl)methylsulfamoyl]benzoic acid
CID 107089983
3-amino-4-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
CID 61125479
3-chloro-4-(difluoromethoxy)-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide
CID 62662823
6-amino-5-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridine-3-sulfonamide
CID 64601874
5-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 64608654
3-chloro-4-methoxy-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
CID 110318264
3-chloro-4-(difluoromethoxy)-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide
CID 65113256
3-chloro-N-(4-methyl-1,3-thiazol-2-yl)-4-propan-2-yloxybenzenesulfonamide
CID 110758289
3-chloro-4-(difluoromethoxy)-N-[[6-(dimethylamino)-3-pyridinyl]methyl]benzenesulfonamide
CID 55681797
3-chloro-4-(difluoromethoxy)-N-[2-(propylamino)ethyl]benzenesulfonamide
CID 62662809
(2S)-3-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonylamino]-2-hydroxypropanoic acid
CID 104936024
3-chloro-4-(difluoromethoxy)-N-(3-hydroxy-2-methylpropyl)benzenesulfonamide
CID 65034786

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(difluoromethoxy)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 3-chloro-4-(difluoromethoxy)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide (CID 55904028) is 3-chloro-4-(difluoromethoxy)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-(difluoromethoxy)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-4-(difluoromethoxy)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide is Cc1csc(CNS(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)n1.
What is the InChIKey of 3-chloro-4-(difluoromethoxy)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide?
The InChIKey is GAKAXEGFCHFNMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClF2N2O3S2/c1-7-6-21-11(17-7)5-16-22(18,19)8-2-3-10(9(13)4-8)20-12(14)15/h2-4,6,12,16H,5H2,1H3.
What are the key properties of 3-chloro-4-(difluoromethoxy)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide?
3-chloro-4-(difluoromethoxy)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide has a molecular weight of 368.81 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(difluoromethoxy)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 55904028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).