N-cycloheptyl-1-(2-nitrophenyl)sulfonylpiperidine-4-carboxamide

C19H27N3O5S — CID 57393387

IUPACN-cycloheptyl-1-(2-nitrophenyl)sulfonylpiperidine-4-carboxamide
SMILESO=C(NC1CCCCCC1)C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1
InChIInChI=1S/C19H27N3O5S/c23-19(20-16-7-3-1-2-4-8-16)15-11-13-21(14-12-15)28(26,27)18-10-6-5-9-17(18)22(24)25/h5-6,9-10,15-16H,1-4,7-8,11-14H2,(H,20,23)
InChIKeyRICVLHSAWJQPRW-UHFFFAOYSA-N
MW409.51 g/mol
LogP2.83
Rot. Bonds5

About N-cycloheptyl-1-(2-nitrophenyl)sulfonylpiperidine-4-carboxamide

N-cycloheptyl-1-(2-nitrophenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 57393387) has the molecular formula C19H27N3O5S and a molecular weight of 409.51 g/mol. Its IUPAC name is N-cycloheptyl-1-(2-nitrophenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-1-(2-nitrophenyl)sulfonylpiperidine-4-carboxamide
PubChem CID57393387
Molecular FormulaC19H27N3O5S
Molecular Weight409.51 g/mol
Exact Mass409.17
IUPAC NameN-cycloheptyl-1-(2-nitrophenyl)sulfonylpiperidine-4-carboxamide
SMILESO=C(NC1CCCCCC1)C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1
InChIInChI=1S/C19H27N3O5S/c23-19(20-16-7-3-1-2-4-8-16)15-11-13-21(14-12-15)28(26,27)18-10-6-5-9-17(18)22(24)25/h5-6,9-10,15-16H,1-4,7-8,11-14H2,(H,20,23)
InChIKeyRICVLHSAWJQPRW-UHFFFAOYSA-N
XLogP2.83
TPSA109.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 52.83
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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Related Compounds

4-{methyl[(4-nitrophenyl)sulfonyl]amino}-N-(2,2,6,6-tetramethyl-4-piperidinyl)butanamide
CID 2961008
Cyclohexanecarboxylic acid [1-(3-nitro-benzenesulfonyl)-piperidin-4-yl]-amide
CID 3218809
N-cycloheptyl-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carboxamide
CID 17410717
N-cycloheptyl-1-(4-fluoro-2-nitrophenyl)sulfonylpiperidine-4-carboxamide
CID 57391544
N-cycloheptyl-1-(4-isocyanatophenyl)sulfonylpiperidine-4-carboxamide
CID 57396877
N-cycloheptyl-1-(3-nitrophenyl)sulfonylpiperidine-4-carboxamide
CID 57400244
1-(2-Nitrophenyl)sulfonylpiperidine-4-carboxamide
CID 818663
N-cyclohexyl-N-methyl-1-(2-nitrophenyl)sulfonylpiperidine-4-carboxamide
CID 1535360
4-({1-[(2-Nitrophenyl)sulfonyl]-4-piperidinyl}carbonyl)morpholine
CID 1190339
N-benzyl-4-[methyl-(4-nitrophenyl)sulfonylamino]butanamide
CID 2215923
Cambridge id 6963972
CID 2920890
4-{methyl[(4-nitrophenyl)sulfonyl]amino}-N-(2-phenylethyl)butanamide
CID 2216396

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-1-(2-nitrophenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-cycloheptyl-1-(2-nitrophenyl)sulfonylpiperidine-4-carboxamide (CID 57393387) is N-cycloheptyl-1-(2-nitrophenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-cycloheptyl-1-(2-nitrophenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-cycloheptyl-1-(2-nitrophenyl)sulfonylpiperidine-4-carboxamide is O=C(NC1CCCCCC1)C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1.
What is the InChIKey of N-cycloheptyl-1-(2-nitrophenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is RICVLHSAWJQPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O5S/c23-19(20-16-7-3-1-2-4-8-16)15-11-13-21(14-12-15)28(26,27)18-10-6-5-9-17(18)22(24)25/h5-6,9-10,15-16H,1-4,7-8,11-14H2,(H,20,23).
What are the key properties of N-cycloheptyl-1-(2-nitrophenyl)sulfonylpiperidine-4-carboxamide?
N-cycloheptyl-1-(2-nitrophenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 409.51 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-1-(2-nitrophenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 57393387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).