4-chloro-2,5-bis(phenylsulfanyl)aniline

C18H14ClNS2 — CID 14765109

IUPAC4-chloro-2,5-bis(phenylsulfanyl)aniline
SMILESNc1cc(Sc2ccccc2)c(Cl)cc1Sc1ccccc1
InChIInChI=1S/C18H14ClNS2/c19-15-11-18(22-14-9-5-2-6-10-14)16(20)12-17(15)21-13-7-3-1-4-8-13/h1-12H,20H2
InChIKeyINJKNCRILUZSDN-UHFFFAOYSA-N
MW343.90 g/mol
LogP6.22
Rot. Bonds4

About 4-chloro-2,5-bis(phenylsulfanyl)aniline

4-chloro-2,5-bis(phenylsulfanyl)aniline (PubChem CID 14765109) has the molecular formula C18H14ClNS2 and a molecular weight of 343.90 g/mol. Its IUPAC name is 4-chloro-2,5-bis(phenylsulfanyl)aniline.

Molecular Properties

Compound Name4-chloro-2,5-bis(phenylsulfanyl)aniline
PubChem CID14765109
Molecular FormulaC18H14ClNS2
Molecular Weight343.90 g/mol
Exact Mass343.03
IUPAC Name4-chloro-2,5-bis(phenylsulfanyl)aniline
SMILESNc1cc(Sc2ccccc2)c(Cl)cc1Sc1ccccc1
InChIInChI=1S/C18H14ClNS2/c19-15-11-18(22-14-9-5-2-6-10-14)16(20)12-17(15)21-13-7-3-1-4-8-13/h1-12H,20H2
InChIKeyINJKNCRILUZSDN-UHFFFAOYSA-N
XLogP6.22
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.90
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-nitro-5-phenylsulfanylaniline
CID 13166638
4-chloro-1-N-methyl-5-phenylsulfanylbenzene-1,2-diamine
CID 154156986
5-phenylsulfanylbenzene-1,2,3,4-tetramine
CID 139667343
4,8-diamino-1,5-dihydroxy-2,6-bis(phenylsulfanyl)anthracene-9,10-dione
CID 163939420
5-phenylsulfanyl-1H-indol-6-amine
CID 57126172
4-(4-aminophenyl)-2-phenylsulfanylaniline
CID 68786659
4-amino-6-phenylsulfanylbenzene-1,3-disulfonamide
CID 121003354
3-amino-4-phenylsulfanylbenzoic acid
CID 12590364
5-amino-4-(2-carboxyphenyl)sulfanyl-2-chlorobenzoic acid
CID 126719591
4-amino-3-phenylsulfanylbenzenesulfonamide
CID 82899045
N-(4-amino-3-chlorophenyl)-N'-(2-phenylsulfanylphenyl)oxamide
CID 108515097
5-chloro-2-(3-chlorophenyl)sulfanylaniline
CID 3026812

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,5-bis(phenylsulfanyl)aniline?
The IUPAC name of 4-chloro-2,5-bis(phenylsulfanyl)aniline (CID 14765109) is 4-chloro-2,5-bis(phenylsulfanyl)aniline.
What is the SMILES notation for 4-chloro-2,5-bis(phenylsulfanyl)aniline?
The canonical SMILES for 4-chloro-2,5-bis(phenylsulfanyl)aniline is Nc1cc(Sc2ccccc2)c(Cl)cc1Sc1ccccc1.
What is the InChIKey of 4-chloro-2,5-bis(phenylsulfanyl)aniline?
The InChIKey is INJKNCRILUZSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNS2/c19-15-11-18(22-14-9-5-2-6-10-14)16(20)12-17(15)21-13-7-3-1-4-8-13/h1-12H,20H2.
What are the key properties of 4-chloro-2,5-bis(phenylsulfanyl)aniline?
4-chloro-2,5-bis(phenylsulfanyl)aniline has a molecular weight of 343.90 g/mol, XLogP of 6.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,5-bis(phenylsulfanyl)aniline is sourced from PubChem (CID 14765109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).