N-(4-chlorophenyl)sulfanyl-N-phenylformamide

C13H10ClNOS — CID 154379124

IUPACN-(4-chlorophenyl)sulfanyl-N-phenylformamide
SMILESO=CN(Sc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C13H10ClNOS/c14-11-6-8-13(9-7-11)17-15(10-16)12-4-2-1-3-5-12/h1-10H
InChIKeyWIKJYLQDNWGQSN-UHFFFAOYSA-N
MW263.75 g/mol
LogP4.01
Rot. Bonds4

About N-(4-chlorophenyl)sulfanyl-N-phenylformamide

N-(4-chlorophenyl)sulfanyl-N-phenylformamide (PubChem CID 154379124) has the molecular formula C13H10ClNOS and a molecular weight of 263.75 g/mol. Its IUPAC name is N-(4-chlorophenyl)sulfanyl-N-phenylformamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)sulfanyl-N-phenylformamide
PubChem CID154379124
Molecular FormulaC13H10ClNOS
Molecular Weight263.75 g/mol
Exact Mass263.02
IUPAC NameN-(4-chlorophenyl)sulfanyl-N-phenylformamide
SMILESO=CN(Sc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C13H10ClNOS/c14-11-6-8-13(9-7-11)17-15(10-16)12-4-2-1-3-5-12/h1-10H
InChIKeyWIKJYLQDNWGQSN-UHFFFAOYSA-N
XLogP4.01
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.75
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)sulfanyl-N-phenylformamide?
The IUPAC name of N-(4-chlorophenyl)sulfanyl-N-phenylformamide (CID 154379124) is N-(4-chlorophenyl)sulfanyl-N-phenylformamide.
What is the SMILES notation for N-(4-chlorophenyl)sulfanyl-N-phenylformamide?
The canonical SMILES for N-(4-chlorophenyl)sulfanyl-N-phenylformamide is O=CN(Sc1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of N-(4-chlorophenyl)sulfanyl-N-phenylformamide?
The InChIKey is WIKJYLQDNWGQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNOS/c14-11-6-8-13(9-7-11)17-15(10-16)12-4-2-1-3-5-12/h1-10H.
What are the key properties of N-(4-chlorophenyl)sulfanyl-N-phenylformamide?
N-(4-chlorophenyl)sulfanyl-N-phenylformamide has a molecular weight of 263.75 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)sulfanyl-N-phenylformamide is sourced from PubChem (CID 154379124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).