3-[3-(3-chloroanilino)pyrrolidine-1-carbonyl]piperidine-1-sulfonamide

C16H23ClN4O3S — CID 154865881

IUPAC3-[3-(3-chloroanilino)pyrrolidine-1-carbonyl]piperidine-1-sulfonamide
SMILESNS(=O)(=O)N1CCCC(C(=O)N2CCC(Nc3cccc(Cl)c3)C2)C1
InChIInChI=1S/C16H23ClN4O3S/c17-13-4-1-5-14(9-13)19-15-6-8-20(11-15)16(22)12-3-2-7-21(10-12)25(18,23)24/h1,4-5,9,12,15,19H,2-3,6-8,10-11H2,(H2,18,23,24)
InChIKeyIPTTURWZEIQNCM-UHFFFAOYSA-N
MW386.91 g/mol
LogP1.27
Rot. Bonds4

About 3-[3-(3-chloroanilino)pyrrolidine-1-carbonyl]piperidine-1-sulfonamide

3-[3-(3-chloroanilino)pyrrolidine-1-carbonyl]piperidine-1-sulfonamide (PubChem CID 154865881) has the molecular formula C16H23ClN4O3S and a molecular weight of 386.91 g/mol. Its IUPAC name is 3-[3-(3-chloroanilino)pyrrolidine-1-carbonyl]piperidine-1-sulfonamide.

Molecular Properties

Compound Name3-[3-(3-chloroanilino)pyrrolidine-1-carbonyl]piperidine-1-sulfonamide
PubChem CID154865881
Molecular FormulaC16H23ClN4O3S
Molecular Weight386.91 g/mol
Exact Mass386.12
IUPAC Name3-[3-(3-chloroanilino)pyrrolidine-1-carbonyl]piperidine-1-sulfonamide
SMILESNS(=O)(=O)N1CCCC(C(=O)N2CCC(Nc3cccc(Cl)c3)C2)C1
InChIInChI=1S/C16H23ClN4O3S/c17-13-4-1-5-14(9-13)19-15-6-8-20(11-15)16(22)12-3-2-7-21(10-12)25(18,23)24/h1,4-5,9,12,15,19H,2-3,6-8,10-11H2,(H2,18,23,24)
InChIKeyIPTTURWZEIQNCM-UHFFFAOYSA-N
XLogP1.27
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.91
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(3-chlorophenyl)piperazin-1-yl]-[(3R)-1-methylsulfonylpiperidin-3-yl]methanone
CID 7029150
[(3R)-1-[(3-chlorophenyl)methylsulfonyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 92641668
[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-(1-methylsulfonylpiperidin-3-yl)methanone
CID 55555673
(3-anilinopyrrolidin-1-yl)-cyclopropylmethanone
CID 134813424
N-(3-chlorophenyl)-2-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide
CID 95622494
(3R)-3-[4-(3-chlorophenyl)sulfonylpiperazine-1-carbonyl]piperidine-1-carboxamide
CID 9086298
(3R)-N-(3-chlorophenyl)-3-[(3,5-dichloro-4-pyridinyl)amino]piperidine-1-carboxamide
CID 134359779
[4-(3-chlorophenyl)piperazin-1-yl]-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]methanone
CID 2967478
[(3S)-1-(4-bromophenyl)sulfonylpiperidin-3-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 2234205
[4-(3-chlorophenyl)piperazin-1-yl]-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]methanone
CID 43889761
(3S)-N-(3-chlorophenyl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 2235300
[4-(3-chloroanilino)piperidin-1-yl]-pyridin-4-ylmethanone
CID 4613355

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-chloroanilino)pyrrolidine-1-carbonyl]piperidine-1-sulfonamide?
The IUPAC name of 3-[3-(3-chloroanilino)pyrrolidine-1-carbonyl]piperidine-1-sulfonamide (CID 154865881) is 3-[3-(3-chloroanilino)pyrrolidine-1-carbonyl]piperidine-1-sulfonamide.
What is the SMILES notation for 3-[3-(3-chloroanilino)pyrrolidine-1-carbonyl]piperidine-1-sulfonamide?
The canonical SMILES for 3-[3-(3-chloroanilino)pyrrolidine-1-carbonyl]piperidine-1-sulfonamide is NS(=O)(=O)N1CCCC(C(=O)N2CCC(Nc3cccc(Cl)c3)C2)C1.
What is the InChIKey of 3-[3-(3-chloroanilino)pyrrolidine-1-carbonyl]piperidine-1-sulfonamide?
The InChIKey is IPTTURWZEIQNCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN4O3S/c17-13-4-1-5-14(9-13)19-15-6-8-20(11-15)16(22)12-3-2-7-21(10-12)25(18,23)24/h1,4-5,9,12,15,19H,2-3,6-8,10-11H2,(H2,18,23,24).
What are the key properties of 3-[3-(3-chloroanilino)pyrrolidine-1-carbonyl]piperidine-1-sulfonamide?
3-[3-(3-chloroanilino)pyrrolidine-1-carbonyl]piperidine-1-sulfonamide has a molecular weight of 386.91 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-chloroanilino)pyrrolidine-1-carbonyl]piperidine-1-sulfonamide is sourced from PubChem (CID 154865881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).