4-chloro-2,5-dimethyl-N-[4-methyl-3-(5-methyl-1,3-thiazol-2-yl)phenyl]benzenesulfonamide

C19H19ClN2O2S2 — CID 171822782

IUPAC4-chloro-2,5-dimethyl-N-[4-methyl-3-(5-methyl-1,3-thiazol-2-yl)phenyl]benzenesulfonamide
SMILESCc1cnc(-c2cc(NS(=O)(=O)c3cc(C)c(Cl)cc3C)ccc2C)s1
InChIInChI=1S/C19H19ClN2O2S2/c1-11-5-6-15(9-16(11)19-21-10-14(4)25-19)22-26(23,24)18-8-12(2)17(20)7-13(18)3/h5-10,22H,1-4H3
InChIKeyLKYVCYHPVWSDRL-UHFFFAOYSA-N
MW406.96 g/mol
LogP5.50
Rot. Bonds4

About 4-chloro-2,5-dimethyl-N-[4-methyl-3-(5-methyl-1,3-thiazol-2-yl)phenyl]benzenesulfonamide

4-chloro-2,5-dimethyl-N-[4-methyl-3-(5-methyl-1,3-thiazol-2-yl)phenyl]benzenesulfonamide (PubChem CID 171822782) has the molecular formula C19H19ClN2O2S2 and a molecular weight of 406.96 g/mol. Its IUPAC name is 4-chloro-2,5-dimethyl-N-[4-methyl-3-(5-methyl-1,3-thiazol-2-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-2,5-dimethyl-N-[4-methyl-3-(5-methyl-1,3-thiazol-2-yl)phenyl]benzenesulfonamide
PubChem CID171822782
Molecular FormulaC19H19ClN2O2S2
Molecular Weight406.96 g/mol
Exact Mass406.06
IUPAC Name4-chloro-2,5-dimethyl-N-[4-methyl-3-(5-methyl-1,3-thiazol-2-yl)phenyl]benzenesulfonamide
SMILESCc1cnc(-c2cc(NS(=O)(=O)c3cc(C)c(Cl)cc3C)ccc2C)s1
InChIInChI=1S/C19H19ClN2O2S2/c1-11-5-6-15(9-16(11)19-21-10-14(4)25-19)22-26(23,24)18-8-12(2)17(20)7-13(18)3/h5-10,22H,1-4H3
InChIKeyLKYVCYHPVWSDRL-UHFFFAOYSA-N
XLogP5.50
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.96
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(3,5-dichlorophenyl)-2,5-dimethylbenzenesulfonamide
CID 22773548
4-chloro-N-(3-fluorophenyl)-2,5-dimethylbenzenesulfonamide
CID 17377299
4-chloro-2,5-dimethyl-N-(4-nitrophenyl)benzenesulfonamide
CID 22774128
4-chloro-2,5-dimethyl-N-[3-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide
CID 171822694
N-(5-bromo-2-pyridinyl)-4-chloro-2,5-dimethylbenzenesulfonamide
CID 19683219
4-chloro-2,5-dimethyl-N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 22202783
4-chloro-N-[4-(diethylamino)phenyl]-2,5-dimethylbenzenesulfonamide
CID 3810600
N-(3-chloro-4-methylphenyl)-5-methoxy-2,4-dimethylbenzenesulfonamide
CID 146076584
4-chloro-2,5-dimethyl-N-(2-phenylphenyl)benzenesulfonamide
CID 19684190
4-chloro-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2,5-dimethylbenzenesulfonamide
CID 19683795
4-chloro-N-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-2,5-dimethylbenzenesulfonamide
CID 22205140
N-(1,3-benzothiazol-2-yl)-4-chloro-2,5-dimethylbenzenesulfonamide
CID 19683407

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,5-dimethyl-N-[4-methyl-3-(5-methyl-1,3-thiazol-2-yl)phenyl]benzenesulfonamide?
The IUPAC name of 4-chloro-2,5-dimethyl-N-[4-methyl-3-(5-methyl-1,3-thiazol-2-yl)phenyl]benzenesulfonamide (CID 171822782) is 4-chloro-2,5-dimethyl-N-[4-methyl-3-(5-methyl-1,3-thiazol-2-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-2,5-dimethyl-N-[4-methyl-3-(5-methyl-1,3-thiazol-2-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-2,5-dimethyl-N-[4-methyl-3-(5-methyl-1,3-thiazol-2-yl)phenyl]benzenesulfonamide is Cc1cnc(-c2cc(NS(=O)(=O)c3cc(C)c(Cl)cc3C)ccc2C)s1.
What is the InChIKey of 4-chloro-2,5-dimethyl-N-[4-methyl-3-(5-methyl-1,3-thiazol-2-yl)phenyl]benzenesulfonamide?
The InChIKey is LKYVCYHPVWSDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O2S2/c1-11-5-6-15(9-16(11)19-21-10-14(4)25-19)22-26(23,24)18-8-12(2)17(20)7-13(18)3/h5-10,22H,1-4H3.
What are the key properties of 4-chloro-2,5-dimethyl-N-[4-methyl-3-(5-methyl-1,3-thiazol-2-yl)phenyl]benzenesulfonamide?
4-chloro-2,5-dimethyl-N-[4-methyl-3-(5-methyl-1,3-thiazol-2-yl)phenyl]benzenesulfonamide has a molecular weight of 406.96 g/mol, XLogP of 5.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,5-dimethyl-N-[4-methyl-3-(5-methyl-1,3-thiazol-2-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 171822782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).