(3S)-1-(3-chlorophenyl)sulfonyl-N'-(cyclopropanecarbonyl)piperidine-3-carbohydrazide

C16H20ClN3O4S — CID 1445981

IUPAC(3S)-1-(3-chlorophenyl)sulfonyl-N'-(cyclopropanecarbonyl)piperidine-3-carbohydrazide
SMILESO=C(NNC(=O)[C@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2)C1)C1CC1
InChIInChI=1S/C16H20ClN3O4S/c17-13-4-1-5-14(9-13)25(23,24)20-8-2-3-12(10-20)16(22)19-18-15(21)11-6-7-11/h1,4-5,9,11-12H,2-3,6-8,10H2,(H,18,21)(H,19,22)/t12-/m0/s1
InChIKeyROYMKEJHKIHBON-LBPRGKRZSA-N
MW385.87 g/mol
LogP1.30
Rot. Bonds4

About (3S)-1-(3-chlorophenyl)sulfonyl-N'-(cyclopropanecarbonyl)piperidine-3-carbohydrazide

(3S)-1-(3-chlorophenyl)sulfonyl-N'-(cyclopropanecarbonyl)piperidine-3-carbohydrazide (PubChem CID 1445981) has the molecular formula C16H20ClN3O4S and a molecular weight of 385.87 g/mol. Its IUPAC name is (3S)-1-(3-chlorophenyl)sulfonyl-N'-(cyclopropanecarbonyl)piperidine-3-carbohydrazide.

Molecular Properties

Compound Name(3S)-1-(3-chlorophenyl)sulfonyl-N'-(cyclopropanecarbonyl)piperidine-3-carbohydrazide
PubChem CID1445981
Molecular FormulaC16H20ClN3O4S
Molecular Weight385.87 g/mol
Exact Mass385.09
IUPAC Name(3S)-1-(3-chlorophenyl)sulfonyl-N'-(cyclopropanecarbonyl)piperidine-3-carbohydrazide
SMILESO=C(NNC(=O)[C@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2)C1)C1CC1
InChIInChI=1S/C16H20ClN3O4S/c17-13-4-1-5-14(9-13)25(23,24)20-8-2-3-12(10-20)16(22)19-18-15(21)11-6-7-11/h1,4-5,9,11-12H,2-3,6-8,10H2,(H,18,21)(H,19,22)/t12-/m0/s1
InChIKeyROYMKEJHKIHBON-LBPRGKRZSA-N
XLogP1.30
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.87
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(3-chlorophenyl)sulfonyl-N-cycloheptylpiperidine-3-carboxamide
CID 69262233
N-[1-(3-chlorophenyl)sulfonylpiperidin-3-yl]cyclohexanecarboxamide
CID 68875719
1-(3-chlorophenyl)sulfonylpyrrolidine-3-carboxylic acid
CID 63030624
1-(3-chlorophenyl)sulfonyl-N-methylpiperidin-3-amine
CID 62536748
[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-(1-methylsulfonylpiperidin-3-yl)methanone
CID 55555673
N-[[1-(3-chlorophenyl)sulfonylazetidin-3-yl]methyl]cyclooctanecarboxamide
CID 173136687
(3S)-N-(3-chlorophenyl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 2235300
N'-benzoyl-1-(4-chlorophenyl)sulfonylpiperidine-3-carbohydrazide
CID 55511757
1-(benzenesulfonyl)-N-(4-chlorophenyl)piperidine-3-carboxamide
CID 16862471
(3R)-N'-(cyclopentanecarbonyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carbohydrazide
CID 9473935
1-(benzenesulfonyl)-N-(2-benzoyl-4-chlorophenyl)piperidine-3-carboxamide
CID 16862444
1-(3-chlorophenyl)sulfonylpiperidine-4-carboxylic acid
CID 23607548

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(3-chlorophenyl)sulfonyl-N'-(cyclopropanecarbonyl)piperidine-3-carbohydrazide?
The IUPAC name of (3S)-1-(3-chlorophenyl)sulfonyl-N'-(cyclopropanecarbonyl)piperidine-3-carbohydrazide (CID 1445981) is (3S)-1-(3-chlorophenyl)sulfonyl-N'-(cyclopropanecarbonyl)piperidine-3-carbohydrazide.
What is the SMILES notation for (3S)-1-(3-chlorophenyl)sulfonyl-N'-(cyclopropanecarbonyl)piperidine-3-carbohydrazide?
The canonical SMILES for (3S)-1-(3-chlorophenyl)sulfonyl-N'-(cyclopropanecarbonyl)piperidine-3-carbohydrazide is O=C(NNC(=O)[C@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2)C1)C1CC1.
What is the InChIKey of (3S)-1-(3-chlorophenyl)sulfonyl-N'-(cyclopropanecarbonyl)piperidine-3-carbohydrazide?
The InChIKey is ROYMKEJHKIHBON-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H20ClN3O4S/c17-13-4-1-5-14(9-13)25(23,24)20-8-2-3-12(10-20)16(22)19-18-15(21)11-6-7-11/h1,4-5,9,11-12H,2-3,6-8,10H2,(H,18,21)(H,19,22)/t12-/m0/s1.
What are the key properties of (3S)-1-(3-chlorophenyl)sulfonyl-N'-(cyclopropanecarbonyl)piperidine-3-carbohydrazide?
(3S)-1-(3-chlorophenyl)sulfonyl-N'-(cyclopropanecarbonyl)piperidine-3-carbohydrazide has a molecular weight of 385.87 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(3-chlorophenyl)sulfonyl-N'-(cyclopropanecarbonyl)piperidine-3-carbohydrazide is sourced from PubChem (CID 1445981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).