N-cyclohexyl-4-(2,3-dimethyl-5-nitrophenyl)sulfonylpiperazine-1-carboxamide

C19H28N4O5S — CID 35398892

IUPACN-cyclohexyl-4-(2,3-dimethyl-5-nitrophenyl)sulfonylpiperazine-1-carboxamide
SMILESCc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCN(C(=O)NC3CCCCC3)CC2)c1C
InChIInChI=1S/C19H28N4O5S/c1-14-12-17(23(25)26)13-18(15(14)2)29(27,28)22-10-8-21(9-11-22)19(24)20-16-6-4-3-5-7-16/h12-13,16H,3-11H2,1-2H3,(H,20,24)
InChIKeyQEAFJEZUNSYUBN-UHFFFAOYSA-N
MW424.52 g/mol
LogP2.56
Rot. Bonds4

About N-cyclohexyl-4-(2,3-dimethyl-5-nitrophenyl)sulfonylpiperazine-1-carboxamide

N-cyclohexyl-4-(2,3-dimethyl-5-nitrophenyl)sulfonylpiperazine-1-carboxamide (PubChem CID 35398892) has the molecular formula C19H28N4O5S and a molecular weight of 424.52 g/mol. Its IUPAC name is N-cyclohexyl-4-(2,3-dimethyl-5-nitrophenyl)sulfonylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-(2,3-dimethyl-5-nitrophenyl)sulfonylpiperazine-1-carboxamide
PubChem CID35398892
Molecular FormulaC19H28N4O5S
Molecular Weight424.52 g/mol
Exact Mass424.18
IUPAC NameN-cyclohexyl-4-(2,3-dimethyl-5-nitrophenyl)sulfonylpiperazine-1-carboxamide
SMILESCc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCN(C(=O)NC3CCCCC3)CC2)c1C
InChIInChI=1S/C19H28N4O5S/c1-14-12-17(23(25)26)13-18(15(14)2)29(27,28)22-10-8-21(9-11-22)19(24)20-16-6-4-3-5-7-16/h12-13,16H,3-11H2,1-2H3,(H,20,24)
InChIKeyQEAFJEZUNSYUBN-UHFFFAOYSA-N
XLogP2.56
TPSA112.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 52.56
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-(2,3-dimethyl-5-nitrophenyl)sulfonylpiperazin-1-yl]-pyrrolidin-1-ylmethanone
CID 16962558
methyl 1-(2,3-dimethyl-5-nitrophenyl)sulfonylpiperidine-4-carboxylate
CID 26527975
N-cyclohexyl-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carboxamide
CID 26912952
N-cyclohexyl-3-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]propanamide
CID 46560014
(3R)-N-(3,5-dimethoxyphenyl)-1-(2,3-dimethyl-5-nitrophenyl)sulfonylpiperidin-3-amine
CID 97003623
N-cyclohexyl-4-(4-nitrophenyl)piperazine-1-carboxamide
CID 2932747
N-cyclopentyl-4-(3,4-dichlorophenyl)sulfonylpiperazine-1-carboxamide
CID 27534567
(3R)-1-(2,3-dimethyl-5-nitrophenyl)sulfonyl-3-methylpiperazine
CID 104975169
N-cyclopentyl-4-(2-methoxyphenyl)sulfonylpiperazine-1-carboxamide
CID 110811227
1-(2-chloro-5-nitrophenyl)sulfonyl-N-cyclopentylpiperidine-4-carboxamide
CID 4798614
N-(4-nitro-2-pyrrolidin-1-ylsulfonylphenyl)cycloheptanamine
CID 18074906
N-cyclohexyl-4-(2-methyl-5-methylsulfonylbenzoyl)piperazine-1-carboxamide
CID 55558241

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(2,3-dimethyl-5-nitrophenyl)sulfonylpiperazine-1-carboxamide?
The IUPAC name of N-cyclohexyl-4-(2,3-dimethyl-5-nitrophenyl)sulfonylpiperazine-1-carboxamide (CID 35398892) is N-cyclohexyl-4-(2,3-dimethyl-5-nitrophenyl)sulfonylpiperazine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-(2,3-dimethyl-5-nitrophenyl)sulfonylpiperazine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-4-(2,3-dimethyl-5-nitrophenyl)sulfonylpiperazine-1-carboxamide is Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCN(C(=O)NC3CCCCC3)CC2)c1C.
What is the InChIKey of N-cyclohexyl-4-(2,3-dimethyl-5-nitrophenyl)sulfonylpiperazine-1-carboxamide?
The InChIKey is QEAFJEZUNSYUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O5S/c1-14-12-17(23(25)26)13-18(15(14)2)29(27,28)22-10-8-21(9-11-22)19(24)20-16-6-4-3-5-7-16/h12-13,16H,3-11H2,1-2H3,(H,20,24).
What are the key properties of N-cyclohexyl-4-(2,3-dimethyl-5-nitrophenyl)sulfonylpiperazine-1-carboxamide?
N-cyclohexyl-4-(2,3-dimethyl-5-nitrophenyl)sulfonylpiperazine-1-carboxamide has a molecular weight of 424.52 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(2,3-dimethyl-5-nitrophenyl)sulfonylpiperazine-1-carboxamide is sourced from PubChem (CID 35398892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).