4-(benzenesulfonamidomethyl)-N-butylcyclohexane-1-carboxamide

C18H28N2O3S — CID 11473631

IUPAC4-(benzenesulfonamidomethyl)-N-butylcyclohexane-1-carboxamide
SMILESCCCCNC(=O)C1CCC(CNS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C18H28N2O3S/c1-2-3-13-19-18(21)16-11-9-15(10-12-16)14-20-24(22,23)17-7-5-4-6-8-17/h4-8,15-16,20H,2-3,9-14H2,1H3,(H,19,21)
InChIKeyOSQBQPQZWFAVPQ-UHFFFAOYSA-N
MW352.50 g/mol
LogP2.69
Rot. Bonds8

About 4-(benzenesulfonamidomethyl)-N-butylcyclohexane-1-carboxamide

4-(benzenesulfonamidomethyl)-N-butylcyclohexane-1-carboxamide (PubChem CID 11473631) has the molecular formula C18H28N2O3S and a molecular weight of 352.50 g/mol. Its IUPAC name is 4-(benzenesulfonamidomethyl)-N-butylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(benzenesulfonamidomethyl)-N-butylcyclohexane-1-carboxamide
PubChem CID11473631
Molecular FormulaC18H28N2O3S
Molecular Weight352.50 g/mol
Exact Mass352.18
IUPAC Name4-(benzenesulfonamidomethyl)-N-butylcyclohexane-1-carboxamide
SMILESCCCCNC(=O)C1CCC(CNS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C18H28N2O3S/c1-2-3-13-19-18(21)16-11-9-15(10-12-16)14-20-24(22,23)17-7-5-4-6-8-17/h4-8,15-16,20H,2-3,9-14H2,1H3,(H,19,21)
InChIKeyOSQBQPQZWFAVPQ-UHFFFAOYSA-N
XLogP2.69
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonamidomethyl)-N-butylcyclohexane-1-carboxamide?
The IUPAC name of 4-(benzenesulfonamidomethyl)-N-butylcyclohexane-1-carboxamide (CID 11473631) is 4-(benzenesulfonamidomethyl)-N-butylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-(benzenesulfonamidomethyl)-N-butylcyclohexane-1-carboxamide?
The canonical SMILES for 4-(benzenesulfonamidomethyl)-N-butylcyclohexane-1-carboxamide is CCCCNC(=O)C1CCC(CNS(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 4-(benzenesulfonamidomethyl)-N-butylcyclohexane-1-carboxamide?
The InChIKey is OSQBQPQZWFAVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3S/c1-2-3-13-19-18(21)16-11-9-15(10-12-16)14-20-24(22,23)17-7-5-4-6-8-17/h4-8,15-16,20H,2-3,9-14H2,1H3,(H,19,21).
What are the key properties of 4-(benzenesulfonamidomethyl)-N-butylcyclohexane-1-carboxamide?
4-(benzenesulfonamidomethyl)-N-butylcyclohexane-1-carboxamide has a molecular weight of 352.50 g/mol, XLogP of 2.69, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonamidomethyl)-N-butylcyclohexane-1-carboxamide is sourced from PubChem (CID 11473631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).