[3-amino-4-(benzenesulfonyl)-5-(4-chloroanilino)thiophen-2-yl]-(4-methylphenyl)methanone

C24H19ClN2O3S2 — CID 46350732

IUPAC[3-amino-4-(benzenesulfonyl)-5-(4-chloroanilino)thiophen-2-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2sc(Nc3ccc(Cl)cc3)c(S(=O)(=O)c3ccccc3)c2N)cc1
InChIInChI=1S/C24H19ClN2O3S2/c1-15-7-9-16(10-8-15)21(28)22-20(26)23(32(29,30)19-5-3-2-4-6-19)24(31-22)27-18-13-11-17(25)12-14-18/h2-14,27H,26H2,1H3
InChIKeyXNKOAPXJNSWGRA-UHFFFAOYSA-N
MW483.01 g/mol
LogP6.10
Rot. Bonds6

About [3-amino-4-(benzenesulfonyl)-5-(4-chloroanilino)thiophen-2-yl]-(4-methylphenyl)methanone

[3-amino-4-(benzenesulfonyl)-5-(4-chloroanilino)thiophen-2-yl]-(4-methylphenyl)methanone (PubChem CID 46350732) has the molecular formula C24H19ClN2O3S2 and a molecular weight of 483.01 g/mol. Its IUPAC name is [3-amino-4-(benzenesulfonyl)-5-(4-chloroanilino)thiophen-2-yl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[3-amino-4-(benzenesulfonyl)-5-(4-chloroanilino)thiophen-2-yl]-(4-methylphenyl)methanone
PubChem CID46350732
Molecular FormulaC24H19ClN2O3S2
Molecular Weight483.01 g/mol
Exact Mass482.05
IUPAC Name[3-amino-4-(benzenesulfonyl)-5-(4-chloroanilino)thiophen-2-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2sc(Nc3ccc(Cl)cc3)c(S(=O)(=O)c3ccccc3)c2N)cc1
InChIInChI=1S/C24H19ClN2O3S2/c1-15-7-9-16(10-8-15)21(28)22-20(26)23(32(29,30)19-5-3-2-4-6-19)24(31-22)27-18-13-11-17(25)12-14-18/h2-14,27H,26H2,1H3
InChIKeyXNKOAPXJNSWGRA-UHFFFAOYSA-N
XLogP6.10
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.01
LogP ≤ 56.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[3-amino-4-(benzenesulfonyl)-5-(4-methylanilino)thiophen-2-yl]-(4-methylphenyl)methanone
CID 46350750
[3-amino-5-(3,4-difluoroanilino)-4-(4-methylphenyl)sulfonylthiophen-2-yl]-phenylmethanone
CID 16956242
[3-amino-4-(4-chlorophenyl)sulfonyl-5-(4-methylanilino)thiophen-2-yl]-(2,4-dimethylphenyl)methanone
CID 46350956
[3-amino-5-(4-methoxyanilino)-4-(4-methylphenyl)sulfonylthiophen-2-yl]-(4-fluorophenyl)methanone
CID 22424305
[3-amino-4-(4-chlorophenyl)sulfonyl-5-(3,4-dimethylanilino)thiophen-2-yl]-(4-methoxyphenyl)methanone
CID 46350977
[3-amino-5-(4-ethoxyanilino)-4-(4-methoxyphenyl)sulfonylthiophen-2-yl]-(4-chlorophenyl)methanone
CID 46350855
[3-amino-5-(4-methylanilino)-4-(4-methylphenyl)sulfonylthiophen-2-yl]-(3-methoxyphenyl)methanone
CID 46350821
[3-amino-4-(4-chlorophenyl)sulfonyl-5-(2,4-dimethylanilino)thiophen-2-yl]-(4-fluorophenyl)methanone
CID 46350963
[3-amino-5-(2,3-dimethylanilino)-4-(4-methylphenyl)sulfonylthiophen-2-yl]-phenylmethanone
CID 16832860
[3-amino-5-anilino-4-(4-bromophenyl)sulfonylthiophen-2-yl]-(2,4-dimethylphenyl)methanone
CID 46350988
[3-amino-5-(3-methylanilino)-4-(4-methylphenyl)sulfonylthiophen-2-yl]-(4-methoxyphenyl)methanone
CID 16956216
[3-amino-5-(2-methylanilino)-4-(4-methylphenyl)sulfonylthiophen-2-yl]-(4-fluorophenyl)methanone
CID 2144816

Frequently Asked Questions

What is the IUPAC name of [3-amino-4-(benzenesulfonyl)-5-(4-chloroanilino)thiophen-2-yl]-(4-methylphenyl)methanone?
The IUPAC name of [3-amino-4-(benzenesulfonyl)-5-(4-chloroanilino)thiophen-2-yl]-(4-methylphenyl)methanone (CID 46350732) is [3-amino-4-(benzenesulfonyl)-5-(4-chloroanilino)thiophen-2-yl]-(4-methylphenyl)methanone.
What is the SMILES notation for [3-amino-4-(benzenesulfonyl)-5-(4-chloroanilino)thiophen-2-yl]-(4-methylphenyl)methanone?
The canonical SMILES for [3-amino-4-(benzenesulfonyl)-5-(4-chloroanilino)thiophen-2-yl]-(4-methylphenyl)methanone is Cc1ccc(C(=O)c2sc(Nc3ccc(Cl)cc3)c(S(=O)(=O)c3ccccc3)c2N)cc1.
What is the InChIKey of [3-amino-4-(benzenesulfonyl)-5-(4-chloroanilino)thiophen-2-yl]-(4-methylphenyl)methanone?
The InChIKey is XNKOAPXJNSWGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN2O3S2/c1-15-7-9-16(10-8-15)21(28)22-20(26)23(32(29,30)19-5-3-2-4-6-19)24(31-22)27-18-13-11-17(25)12-14-18/h2-14,27H,26H2,1H3.
What are the key properties of [3-amino-4-(benzenesulfonyl)-5-(4-chloroanilino)thiophen-2-yl]-(4-methylphenyl)methanone?
[3-amino-4-(benzenesulfonyl)-5-(4-chloroanilino)thiophen-2-yl]-(4-methylphenyl)methanone has a molecular weight of 483.01 g/mol, XLogP of 6.10, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-4-(benzenesulfonyl)-5-(4-chloroanilino)thiophen-2-yl]-(4-methylphenyl)methanone is sourced from PubChem (CID 46350732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).