4-[[1-(4-chloro-3-methylphenyl)sulfonylpiperidine-4-carbonyl]amino]benzoic acid

C20H21ClN2O5S — CID 1444979

IUPAC4-[[1-(4-chloro-3-methylphenyl)sulfonylpiperidine-4-carbonyl]amino]benzoic acid
SMILESCc1cc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(C(=O)O)cc3)CC2)ccc1Cl
InChIInChI=1S/C20H21ClN2O5S/c1-13-12-17(6-7-18(13)21)29(27,28)23-10-8-14(9-11-23)19(24)22-16-4-2-15(3-5-16)20(25)26/h2-7,12,14H,8-11H2,1H3,(H,22,24)(H,25,26)
InChIKeyMVVDCUXYWFCJMN-UHFFFAOYSA-N
MW436.92 g/mol
LogP3.39
Rot. Bonds5

About 4-[[1-(4-chloro-3-methylphenyl)sulfonylpiperidine-4-carbonyl]amino]benzoic acid

4-[[1-(4-chloro-3-methylphenyl)sulfonylpiperidine-4-carbonyl]amino]benzoic acid (PubChem CID 1444979) has the molecular formula C20H21ClN2O5S and a molecular weight of 436.92 g/mol. Its IUPAC name is 4-[[1-(4-chloro-3-methylphenyl)sulfonylpiperidine-4-carbonyl]amino]benzoic acid.

Molecular Properties

Compound Name4-[[1-(4-chloro-3-methylphenyl)sulfonylpiperidine-4-carbonyl]amino]benzoic acid
PubChem CID1444979
Molecular FormulaC20H21ClN2O5S
Molecular Weight436.92 g/mol
Exact Mass436.09
IUPAC Name4-[[1-(4-chloro-3-methylphenyl)sulfonylpiperidine-4-carbonyl]amino]benzoic acid
SMILESCc1cc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(C(=O)O)cc3)CC2)ccc1Cl
InChIInChI=1S/C20H21ClN2O5S/c1-13-12-17(6-7-18(13)21)29(27,28)23-10-8-14(9-11-23)19(24)22-16-4-2-15(3-5-16)20(25)26/h2-7,12,14H,8-11H2,1H3,(H,22,24)(H,25,26)
InChIKeyMVVDCUXYWFCJMN-UHFFFAOYSA-N
XLogP3.39
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.92
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[1-(4-chloro-3-methylphenyl)sulfonylpiperidine-4-carbonyl]amino]benzoic acid with MolForge

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Related Compounds

1-(3,4-dichlorophenyl)sulfonyl-N-phenylpiperidine-4-carboxamide
CID 24511493
N-[4-(carbamoylamino)phenyl]-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 33151117
1-(benzenesulfonyl)-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide
CID 1326765
1-(4-acetylphenyl)sulfonyl-N-(4-chlorophenyl)piperidine-4-carboxamide
CID 26581253
N-(3,4-dichlorophenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 24638766
N-(4-cyanophenyl)-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26687484
[1-(4-chloro-3-methylphenyl)sulfonylpiperidin-4-yl]-piperidin-1-ylmethanone
CID 113003064
N-butyl-1-(4-chloro-3-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 113002724
1-(3,4-dimethylphenyl)sulfonyl-N-(4-propan-2-yloxyphenyl)piperidine-4-carboxamide
CID 55748874
1-(3,4-dimethylphenyl)sulfonyl-N-(4-ethoxyphenyl)piperidine-4-carboxamide
CID 7947516
N-(3-acetylphenyl)-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 34830036
N-(3-chloro-4-methylphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 2672974

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(4-chloro-3-methylphenyl)sulfonylpiperidine-4-carbonyl]amino]benzoic acid?
The IUPAC name of 4-[[1-(4-chloro-3-methylphenyl)sulfonylpiperidine-4-carbonyl]amino]benzoic acid (CID 1444979) is 4-[[1-(4-chloro-3-methylphenyl)sulfonylpiperidine-4-carbonyl]amino]benzoic acid.
What is the SMILES notation for 4-[[1-(4-chloro-3-methylphenyl)sulfonylpiperidine-4-carbonyl]amino]benzoic acid?
The canonical SMILES for 4-[[1-(4-chloro-3-methylphenyl)sulfonylpiperidine-4-carbonyl]amino]benzoic acid is Cc1cc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(C(=O)O)cc3)CC2)ccc1Cl.
What is the InChIKey of 4-[[1-(4-chloro-3-methylphenyl)sulfonylpiperidine-4-carbonyl]amino]benzoic acid?
The InChIKey is MVVDCUXYWFCJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O5S/c1-13-12-17(6-7-18(13)21)29(27,28)23-10-8-14(9-11-23)19(24)22-16-4-2-15(3-5-16)20(25)26/h2-7,12,14H,8-11H2,1H3,(H,22,24)(H,25,26).
What are the key properties of 4-[[1-(4-chloro-3-methylphenyl)sulfonylpiperidine-4-carbonyl]amino]benzoic acid?
4-[[1-(4-chloro-3-methylphenyl)sulfonylpiperidine-4-carbonyl]amino]benzoic acid has a molecular weight of 436.92 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(4-chloro-3-methylphenyl)sulfonylpiperidine-4-carbonyl]amino]benzoic acid is sourced from PubChem (CID 1444979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).