1-(2-chloro-5-nitrophenyl)sulfonyl-N-cyclopropylpiperidine-4-carboxamide

C15H18ClN3O5S — CID 8933527

IUPAC1-(2-chloro-5-nitrophenyl)sulfonyl-N-cyclopropylpiperidine-4-carboxamide
SMILESO=C(NC1CC1)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1
InChIInChI=1S/C15H18ClN3O5S/c16-13-4-3-12(19(21)22)9-14(13)25(23,24)18-7-5-10(6-8-18)15(20)17-11-1-2-11/h3-4,9-11H,1-2,5-8H2,(H,17,20)
InChIKeyPETZSTRZZLWCGP-UHFFFAOYSA-N
MW387.85 g/mol
LogP1.93
Rot. Bonds5

About 1-(2-chloro-5-nitrophenyl)sulfonyl-N-cyclopropylpiperidine-4-carboxamide

1-(2-chloro-5-nitrophenyl)sulfonyl-N-cyclopropylpiperidine-4-carboxamide (PubChem CID 8933527) has the molecular formula C15H18ClN3O5S and a molecular weight of 387.85 g/mol. Its IUPAC name is 1-(2-chloro-5-nitrophenyl)sulfonyl-N-cyclopropylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-chloro-5-nitrophenyl)sulfonyl-N-cyclopropylpiperidine-4-carboxamide
PubChem CID8933527
Molecular FormulaC15H18ClN3O5S
Molecular Weight387.85 g/mol
Exact Mass387.07
IUPAC Name1-(2-chloro-5-nitrophenyl)sulfonyl-N-cyclopropylpiperidine-4-carboxamide
SMILESO=C(NC1CC1)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1
InChIInChI=1S/C15H18ClN3O5S/c16-13-4-3-12(19(21)22)9-14(13)25(23,24)18-7-5-10(6-8-18)15(20)17-11-1-2-11/h3-4,9-11H,1-2,5-8H2,(H,17,20)
InChIKeyPETZSTRZZLWCGP-UHFFFAOYSA-N
XLogP1.93
TPSA109.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.85
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-nitrophenyl)sulfonyl-N-cyclopropylpiperidine-4-carboxamide?
The IUPAC name of 1-(2-chloro-5-nitrophenyl)sulfonyl-N-cyclopropylpiperidine-4-carboxamide (CID 8933527) is 1-(2-chloro-5-nitrophenyl)sulfonyl-N-cyclopropylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(2-chloro-5-nitrophenyl)sulfonyl-N-cyclopropylpiperidine-4-carboxamide?
The canonical SMILES for 1-(2-chloro-5-nitrophenyl)sulfonyl-N-cyclopropylpiperidine-4-carboxamide is O=C(NC1CC1)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1.
What is the InChIKey of 1-(2-chloro-5-nitrophenyl)sulfonyl-N-cyclopropylpiperidine-4-carboxamide?
The InChIKey is PETZSTRZZLWCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O5S/c16-13-4-3-12(19(21)22)9-14(13)25(23,24)18-7-5-10(6-8-18)15(20)17-11-1-2-11/h3-4,9-11H,1-2,5-8H2,(H,17,20).
What are the key properties of 1-(2-chloro-5-nitrophenyl)sulfonyl-N-cyclopropylpiperidine-4-carboxamide?
1-(2-chloro-5-nitrophenyl)sulfonyl-N-cyclopropylpiperidine-4-carboxamide has a molecular weight of 387.85 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-nitrophenyl)sulfonyl-N-cyclopropylpiperidine-4-carboxamide is sourced from PubChem (CID 8933527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).