2,4-dichloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methylbenzenesulfonamide

C10H10Cl2N2O2S2 — CID 163351549

IUPAC2,4-dichloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NC2=NCCS2)c(Cl)cc1Cl
InChIInChI=1S/C10H10Cl2N2O2S2/c1-6-4-9(8(12)5-7(6)11)18(15,16)14-10-13-2-3-17-10/h4-5H,2-3H2,1H3,(H,13,14)
InChIKeyBPVWSFYIXKQVIV-UHFFFAOYSA-N
MW325.24 g/mol
LogP2.68
Rot. Bonds2

About 2,4-dichloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methylbenzenesulfonamide

2,4-dichloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methylbenzenesulfonamide (PubChem CID 163351549) has the molecular formula C10H10Cl2N2O2S2 and a molecular weight of 325.24 g/mol. Its IUPAC name is 2,4-dichloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methylbenzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methylbenzenesulfonamide
PubChem CID163351549
Molecular FormulaC10H10Cl2N2O2S2
Molecular Weight325.24 g/mol
Exact Mass323.96
IUPAC Name2,4-dichloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NC2=NCCS2)c(Cl)cc1Cl
InChIInChI=1S/C10H10Cl2N2O2S2/c1-6-4-9(8(12)5-7(6)11)18(15,16)14-10-13-2-3-17-10/h4-5H,2-3H2,1H3,(H,13,14)
InChIKeyBPVWSFYIXKQVIV-UHFFFAOYSA-N
XLogP2.68
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.24
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dichloro-N-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-5-methylbenzenesulfonamide
CID 166316508
N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methyl-1-phenylpyrazole-4-sulfonamide
CID 42283379
2,4-dichloro-5-methyl-N-(6-methyl-2-pyridinyl)benzenesulfonamide
CID 16644970
N-(4-chloro-2-methoxy-5-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 29068100
2,4-dichloro-N-(3-cyclopropyl-1-methylpyrazol-5-yl)-5-methylbenzenesulfonamide
CID 4585560
2,4-dichloro-N-[1-(2,2-difluoroethyl)-3,5-dimethylpyrazol-4-yl]-5-methylbenzenesulfonamide
CID 166336403
2,4-dichloro-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5-methylbenzenesulfonamide
CID 166336393
2,4,5-trichloro-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 19683104
N-[4-(4,5-dihydro-1,3-thiazol-2-ylsulfamoyl)phenyl]formamide
CID 168652188
4-chloro-N-(3,5-dichlorophenyl)-2,5-dimethylbenzenesulfonamide
CID 22773548
2,4-dichloro-5-methyl-N-(6-morpholin-4-yl-3-pyridinyl)benzenesulfonamide
CID 74225889
2,4-dichloro-5-methyl-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]benzenesulfonamide
CID 121135483

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methylbenzenesulfonamide?
The IUPAC name of 2,4-dichloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methylbenzenesulfonamide (CID 163351549) is 2,4-dichloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methylbenzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methylbenzenesulfonamide?
The canonical SMILES for 2,4-dichloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)NC2=NCCS2)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methylbenzenesulfonamide?
The InChIKey is BPVWSFYIXKQVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2N2O2S2/c1-6-4-9(8(12)5-7(6)11)18(15,16)14-10-13-2-3-17-10/h4-5H,2-3H2,1H3,(H,13,14).
What are the key properties of 2,4-dichloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methylbenzenesulfonamide?
2,4-dichloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methylbenzenesulfonamide has a molecular weight of 325.24 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methylbenzenesulfonamide is sourced from PubChem (CID 163351549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).