N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide

C16H13ClN2O2S2 — CID 10666499

IUPACN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)cc1
InChIInChI=1S/C16H13ClN2O2S2/c1-11-2-8-14(9-3-11)23(20,21)19-16-18-15(10-22-16)12-4-6-13(17)7-5-12/h2-10H,1H3,(H,18,19)
InChIKeyNHZJRACGGVBOLR-UHFFFAOYSA-N
MW364.88 g/mol
LogP4.57
Rot. Bonds4

About N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide

N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide (PubChem CID 10666499) has the molecular formula C16H13ClN2O2S2 and a molecular weight of 364.88 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide
PubChem CID10666499
Molecular FormulaC16H13ClN2O2S2
Molecular Weight364.88 g/mol
Exact Mass364.01
IUPAC NameN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)cc1
InChIInChI=1S/C16H13ClN2O2S2/c1-11-2-8-14(9-3-11)23(20,21)19-16-18-15(10-22-16)12-4-6-13(17)7-5-12/h2-10H,1H3,(H,18,19)
InChIKeyNHZJRACGGVBOLR-UHFFFAOYSA-N
XLogP4.57
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.88
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_F(1)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide (CID 10666499) is N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)cc1.
What is the InChIKey of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide?
The InChIKey is NHZJRACGGVBOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O2S2/c1-11-2-8-14(9-3-11)23(20,21)19-16-18-15(10-22-16)12-4-6-13(17)7-5-12/h2-10H,1H3,(H,18,19).
What are the key properties of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide?
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide has a molecular weight of 364.88 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 10666499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).