N-[2,2-bis[(4-chlorophenyl)sulfonyl]ethenyl]pyridin-3-amine

C19H14Cl2N2O4S2 — CID 15591431

IUPACN-[2,2-bis[(4-chlorophenyl)sulfonyl]ethenyl]pyridin-3-amine
SMILESO=S(=O)(C(=CNc1cccnc1)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H14Cl2N2O4S2/c20-14-3-7-17(8-4-14)28(24,25)19(13-23-16-2-1-11-22-12-16)29(26,27)18-9-5-15(21)6-10-18/h1-13,23H
InChIKeyULJOUYHFSGPFJP-UHFFFAOYSA-N
MW469.37 g/mol
LogP4.55
Rot. Bonds6

About N-[2,2-bis[(4-chlorophenyl)sulfonyl]ethenyl]pyridin-3-amine

N-[2,2-bis[(4-chlorophenyl)sulfonyl]ethenyl]pyridin-3-amine (PubChem CID 15591431) has the molecular formula C19H14Cl2N2O4S2 and a molecular weight of 469.37 g/mol. Its IUPAC name is N-[2,2-bis[(4-chlorophenyl)sulfonyl]ethenyl]pyridin-3-amine.

Molecular Properties

Compound NameN-[2,2-bis[(4-chlorophenyl)sulfonyl]ethenyl]pyridin-3-amine
PubChem CID15591431
Molecular FormulaC19H14Cl2N2O4S2
Molecular Weight469.37 g/mol
Exact Mass467.98
IUPAC NameN-[2,2-bis[(4-chlorophenyl)sulfonyl]ethenyl]pyridin-3-amine
SMILESO=S(=O)(C(=CNc1cccnc1)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H14Cl2N2O4S2/c20-14-3-7-17(8-4-14)28(24,25)19(13-23-16-2-1-11-22-12-16)29(26,27)18-9-5-15(21)6-10-18/h1-13,23H
InChIKeyULJOUYHFSGPFJP-UHFFFAOYSA-N
XLogP4.55
TPSA93.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.37
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-chlorophenyl)sulfonyl-N-pyridin-3-ylbenzamide
CID 1117984
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-pyridin-3-ylacetamide
CID 17380536
1-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3-pyridin-3-ylthiourea
CID 25041089
4-[[(Z)-2-cyano-3-(pyridin-3-ylamino)prop-2-enoyl]amino]benzenesulfonic acid
CID 108819227
3,5-dichloro-N-pyridin-3-ylbenzenesulfonamide
CID 3269893
4-[(4-chlorobenzoyl)amino]-N-pyridin-3-ylbenzamide
CID 38754764
N-pyridin-3-ylmethanethioamide
CID 22299133
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-pyridin-3-ylacetamide
CID 2521158
(E)-3-(4-chlorophenyl)sulfonyl-4-(pyrimidin-2-ylamino)but-3-en-2-one
CID 2819339
2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-pyridin-3-ylacetamide
CID 1287522
N-[2,2-bis(benzenesulfonyl)ethenyl]pyridin-2-amine
CID 15591383
3,5-dichloro-N-pyridin-3-ylbenzamide
CID 1245821

Frequently Asked Questions

What is the IUPAC name of N-[2,2-bis[(4-chlorophenyl)sulfonyl]ethenyl]pyridin-3-amine?
The IUPAC name of N-[2,2-bis[(4-chlorophenyl)sulfonyl]ethenyl]pyridin-3-amine (CID 15591431) is N-[2,2-bis[(4-chlorophenyl)sulfonyl]ethenyl]pyridin-3-amine.
What is the SMILES notation for N-[2,2-bis[(4-chlorophenyl)sulfonyl]ethenyl]pyridin-3-amine?
The canonical SMILES for N-[2,2-bis[(4-chlorophenyl)sulfonyl]ethenyl]pyridin-3-amine is O=S(=O)(C(=CNc1cccnc1)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of N-[2,2-bis[(4-chlorophenyl)sulfonyl]ethenyl]pyridin-3-amine?
The InChIKey is ULJOUYHFSGPFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2N2O4S2/c20-14-3-7-17(8-4-14)28(24,25)19(13-23-16-2-1-11-22-12-16)29(26,27)18-9-5-15(21)6-10-18/h1-13,23H.
What are the key properties of N-[2,2-bis[(4-chlorophenyl)sulfonyl]ethenyl]pyridin-3-amine?
N-[2,2-bis[(4-chlorophenyl)sulfonyl]ethenyl]pyridin-3-amine has a molecular weight of 469.37 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2-bis[(4-chlorophenyl)sulfonyl]ethenyl]pyridin-3-amine is sourced from PubChem (CID 15591431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).