3-chloro-5-[3-(2-chlorophenyl)piperazine-1-carbonyl]-4-(3-methylanilino)pyridine-2-sulfonamide

C23H23Cl2N5O3S — CID 134346430

IUPAC3-chloro-5-[3-(2-chlorophenyl)piperazine-1-carbonyl]-4-(3-methylanilino)pyridine-2-sulfonamide
SMILESCc1cccc(Nc2c(C(=O)N3CCNC(c4ccccc4Cl)C3)cnc(S(N)(=O)=O)c2Cl)c1
InChIInChI=1S/C23H23Cl2N5O3S/c1-14-5-4-6-15(11-14)29-21-17(12-28-22(20(21)25)34(26,32)33)23(31)30-10-9-27-19(13-30)16-7-2-3-8-18(16)24/h2-8,11-12,19,27H,9-10,13H2,1H3,(H,28,29)(H2,26,32,33)
InChIKeyFEQMWVIXMPOVIN-UHFFFAOYSA-N
MW520.44 g/mol
LogP3.87
Rot. Bonds5

About 3-chloro-5-[3-(2-chlorophenyl)piperazine-1-carbonyl]-4-(3-methylanilino)pyridine-2-sulfonamide

3-chloro-5-[3-(2-chlorophenyl)piperazine-1-carbonyl]-4-(3-methylanilino)pyridine-2-sulfonamide (PubChem CID 134346430) has the molecular formula C23H23Cl2N5O3S and a molecular weight of 520.44 g/mol. Its IUPAC name is 3-chloro-5-[3-(2-chlorophenyl)piperazine-1-carbonyl]-4-(3-methylanilino)pyridine-2-sulfonamide.

Molecular Properties

Compound Name3-chloro-5-[3-(2-chlorophenyl)piperazine-1-carbonyl]-4-(3-methylanilino)pyridine-2-sulfonamide
PubChem CID134346430
Molecular FormulaC23H23Cl2N5O3S
Molecular Weight520.44 g/mol
Exact Mass519.09
IUPAC Name3-chloro-5-[3-(2-chlorophenyl)piperazine-1-carbonyl]-4-(3-methylanilino)pyridine-2-sulfonamide
SMILESCc1cccc(Nc2c(C(=O)N3CCNC(c4ccccc4Cl)C3)cnc(S(N)(=O)=O)c2Cl)c1
InChIInChI=1S/C23H23Cl2N5O3S/c1-14-5-4-6-15(11-14)29-21-17(12-28-22(20(21)25)34(26,32)33)23(31)30-10-9-27-19(13-30)16-7-2-3-8-18(16)24/h2-8,11-12,19,27H,9-10,13H2,1H3,(H,28,29)(H2,26,32,33)
InChIKeyFEQMWVIXMPOVIN-UHFFFAOYSA-N
XLogP3.87
TPSA117.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.44
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-5-[4-(4-fluorophenyl)-4-hydroxypiperidine-1-carbonyl]-4-(3-methylanilino)pyridine-2-sulfonamide
CID 118412552
3-chloro-5-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-4-(3-methylanilino)pyridine-2-sulfonamide
CID 118412379
5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-3-methyl-4-(3-methylanilino)pyridine-2-sulfonic acid
CID 118412574
[3-(2-chlorophenyl)piperazin-1-yl]-(1H-indazol-7-yl)methanone
CID 126799294
3-chloro-4-(5-chloro-2-methylanilino)-5-[3-(4-fluorophenyl)azetidine-1-carbonyl]pyridine-2-sulfonamide
CID 118412421
3-(2-chlorophenyl)piperazine-1-carboxylic acid
CID 174410576
4-(3-bromoanilino)-3-chloro-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]pyridine-2-sulfonic acid
CID 118412671
[3-(2-chlorophenyl)piperazin-1-yl]-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methanone
CID 154755976
3-chloro-4-(2,4-difluoroanilino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]pyridine-2-sulfonamide
CID 118412752
N-(3-methylphenyl)-3-(3-methylpiperazine-1-carbonyl)benzenesulfonamide;hydrochloride
CID 119576776
3-chloro-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-4-(2-methyl-4-nitroanilino)pyridine-2-sulfonamide
CID 118412635
2-methyl-N-(3-methylphenyl)-5-(3-methylpiperazine-1-carbonyl)benzenesulfonamide
CID 119578072

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[3-(2-chlorophenyl)piperazine-1-carbonyl]-4-(3-methylanilino)pyridine-2-sulfonamide?
The IUPAC name of 3-chloro-5-[3-(2-chlorophenyl)piperazine-1-carbonyl]-4-(3-methylanilino)pyridine-2-sulfonamide (CID 134346430) is 3-chloro-5-[3-(2-chlorophenyl)piperazine-1-carbonyl]-4-(3-methylanilino)pyridine-2-sulfonamide.
What is the SMILES notation for 3-chloro-5-[3-(2-chlorophenyl)piperazine-1-carbonyl]-4-(3-methylanilino)pyridine-2-sulfonamide?
The canonical SMILES for 3-chloro-5-[3-(2-chlorophenyl)piperazine-1-carbonyl]-4-(3-methylanilino)pyridine-2-sulfonamide is Cc1cccc(Nc2c(C(=O)N3CCNC(c4ccccc4Cl)C3)cnc(S(N)(=O)=O)c2Cl)c1.
What is the InChIKey of 3-chloro-5-[3-(2-chlorophenyl)piperazine-1-carbonyl]-4-(3-methylanilino)pyridine-2-sulfonamide?
The InChIKey is FEQMWVIXMPOVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23Cl2N5O3S/c1-14-5-4-6-15(11-14)29-21-17(12-28-22(20(21)25)34(26,32)33)23(31)30-10-9-27-19(13-30)16-7-2-3-8-18(16)24/h2-8,11-12,19,27H,9-10,13H2,1H3,(H,28,29)(H2,26,32,33).
What are the key properties of 3-chloro-5-[3-(2-chlorophenyl)piperazine-1-carbonyl]-4-(3-methylanilino)pyridine-2-sulfonamide?
3-chloro-5-[3-(2-chlorophenyl)piperazine-1-carbonyl]-4-(3-methylanilino)pyridine-2-sulfonamide has a molecular weight of 520.44 g/mol, XLogP of 3.87, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[3-(2-chlorophenyl)piperazine-1-carbonyl]-4-(3-methylanilino)pyridine-2-sulfonamide is sourced from PubChem (CID 134346430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).