2-chloro-N-(2,5-difluoro-4-methylphenyl)-5-sulfanylbenzamide

C14H10ClF2NOS — CID 107037172

IUPAC2-chloro-N-(2,5-difluoro-4-methylphenyl)-5-sulfanylbenzamide
SMILESCc1cc(F)c(NC(=O)c2cc(S)ccc2Cl)cc1F
InChIInChI=1S/C14H10ClF2NOS/c1-7-4-12(17)13(6-11(7)16)18-14(19)9-5-8(20)2-3-10(9)15/h2-6,20H,1H3,(H,18,19)
InChIKeyNJIAEEWCDOWPAP-UHFFFAOYSA-N
MW313.76 g/mol
LogP4.47
Rot. Bonds2

About 2-chloro-N-(2,5-difluoro-4-methylphenyl)-5-sulfanylbenzamide

2-chloro-N-(2,5-difluoro-4-methylphenyl)-5-sulfanylbenzamide (PubChem CID 107037172) has the molecular formula C14H10ClF2NOS and a molecular weight of 313.76 g/mol. Its IUPAC name is 2-chloro-N-(2,5-difluoro-4-methylphenyl)-5-sulfanylbenzamide.

Molecular Properties

Compound Name2-chloro-N-(2,5-difluoro-4-methylphenyl)-5-sulfanylbenzamide
PubChem CID107037172
Molecular FormulaC14H10ClF2NOS
Molecular Weight313.76 g/mol
Exact Mass313.01
IUPAC Name2-chloro-N-(2,5-difluoro-4-methylphenyl)-5-sulfanylbenzamide
SMILESCc1cc(F)c(NC(=O)c2cc(S)ccc2Cl)cc1F
InChIInChI=1S/C14H10ClF2NOS/c1-7-4-12(17)13(6-11(7)16)18-14(19)9-5-8(20)2-3-10(9)15/h2-6,20H,1H3,(H,18,19)
InChIKeyNJIAEEWCDOWPAP-UHFFFAOYSA-N
XLogP4.47
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.76
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-methyl-5-sulfanyl-N-(2,4,5-trifluorophenyl)benzamide
CID 107028630
2-chloro-N-(2,5-difluoro-4-methylphenyl)furan-3-carboxamide
CID 106687388
2-amino-3-chloro-N-(2,5-difluoro-4-methylphenyl)benzamide
CID 103584339
5-amino-2,3-dichloro-N-(2,5-difluoro-4-methylphenyl)benzamide
CID 107186123
2-chloro-5-sulfanyl-N-(2,4,6-trifluorophenyl)benzamide
CID 107031496
N-(2-fluoro-4-methylphenyl)-2-methyl-5-sulfanylbenzamide
CID 107021979
2-chloro-N-(3,4-difluorophenyl)-5-sulfanylbenzamide
CID 107020863
2-bromo-N-(2,5-difluoro-4-methylphenyl)furan-3-carboxamide
CID 106854464
N-(2-bromo-5-chlorophenyl)-2-chloro-5-sulfanylbenzamide
CID 107033057
N-(5-bromo-4-fluoro-2-methylphenyl)-2-fluoro-5-sulfanylbenzamide
CID 107590334
N-(3-chloro-4-methylphenyl)-2-fluoro-5-sulfanylbenzamide
CID 107019764
2-fluoro-N-(4-fluoro-2-methylphenyl)-5-sulfanylbenzamide
CID 107021333

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,5-difluoro-4-methylphenyl)-5-sulfanylbenzamide?
The IUPAC name of 2-chloro-N-(2,5-difluoro-4-methylphenyl)-5-sulfanylbenzamide (CID 107037172) is 2-chloro-N-(2,5-difluoro-4-methylphenyl)-5-sulfanylbenzamide.
What is the SMILES notation for 2-chloro-N-(2,5-difluoro-4-methylphenyl)-5-sulfanylbenzamide?
The canonical SMILES for 2-chloro-N-(2,5-difluoro-4-methylphenyl)-5-sulfanylbenzamide is Cc1cc(F)c(NC(=O)c2cc(S)ccc2Cl)cc1F.
What is the InChIKey of 2-chloro-N-(2,5-difluoro-4-methylphenyl)-5-sulfanylbenzamide?
The InChIKey is NJIAEEWCDOWPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF2NOS/c1-7-4-12(17)13(6-11(7)16)18-14(19)9-5-8(20)2-3-10(9)15/h2-6,20H,1H3,(H,18,19).
What are the key properties of 2-chloro-N-(2,5-difluoro-4-methylphenyl)-5-sulfanylbenzamide?
2-chloro-N-(2,5-difluoro-4-methylphenyl)-5-sulfanylbenzamide has a molecular weight of 313.76 g/mol, XLogP of 4.47, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,5-difluoro-4-methylphenyl)-5-sulfanylbenzamide is sourced from PubChem (CID 107037172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).