(1R)-N-[4-(sulfamoylmethyl)phenyl]cyclohex-3-ene-1-carboxamide

C14H18N2O3S — CID 25498236

IUPAC(1R)-N-[4-(sulfamoylmethyl)phenyl]cyclohex-3-ene-1-carboxamide
SMILESNS(=O)(=O)Cc1ccc(NC(=O)[C@H]2CC=CCC2)cc1
InChIInChI=1S/C14H18N2O3S/c15-20(18,19)10-11-6-8-13(9-7-11)16-14(17)12-4-2-1-3-5-12/h1-2,6-9,12H,3-5,10H2,(H,16,17)(H2,15,18,19)/t12-/m0/s1
InChIKeyKDVUBZRFHRDDDQ-LBPRGKRZSA-N
MW294.38 g/mol
LogP1.77
Rot. Bonds4

About (1R)-N-[4-(sulfamoylmethyl)phenyl]cyclohex-3-ene-1-carboxamide

(1R)-N-[4-(sulfamoylmethyl)phenyl]cyclohex-3-ene-1-carboxamide (PubChem CID 25498236) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is (1R)-N-[4-(sulfamoylmethyl)phenyl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name(1R)-N-[4-(sulfamoylmethyl)phenyl]cyclohex-3-ene-1-carboxamide
PubChem CID25498236
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name(1R)-N-[4-(sulfamoylmethyl)phenyl]cyclohex-3-ene-1-carboxamide
SMILESNS(=O)(=O)Cc1ccc(NC(=O)[C@H]2CC=CCC2)cc1
InChIInChI=1S/C14H18N2O3S/c15-20(18,19)10-11-6-8-13(9-7-11)16-14(17)12-4-2-1-3-5-12/h1-2,6-9,12H,3-5,10H2,(H,16,17)(H2,15,18,19)/t12-/m0/s1
InChIKeyKDVUBZRFHRDDDQ-LBPRGKRZSA-N
XLogP1.77
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(cyclohex-3-ene-1-carbonylamino)phenyl]cyclohex-3-ene-1-carboxamide
CID 171577227
4-[[4-(sulfamoylmethyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120672451
2-[4-(cyclohex-3-ene-1-carbonylamino)phenyl]acetic acid
CID 24700813
N-(4-acetamidophenyl)cyclohex-3-ene-1-carboxamide
CID 17394995
N-(4-methylsulfonylphenyl)cyclohex-3-ene-1-carboxamide
CID 18083778
4-[[(1S)-cyclohex-3-ene-1-carbonyl]amino]benzamide
CID 8885141
3-[4-(cyclohex-3-ene-1-carbonylamino)phenyl]-2-methylpropanoic acid
CID 120541217
(1R)-N-(4-anilinophenyl)cyclohex-3-ene-1-carboxamide
CID 51927414
N-(4-cyanophenyl)cyclohex-3-ene-1-carboxamide
CID 42908998
N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]cyclohex-3-ene-1-carboxamide
CID 17450703
N-(4-sulfamoylphenyl)cyclopent-3-ene-1-carboxamide
CID 64766677
(1R)-N-(4-phenoxyphenyl)cyclohex-3-ene-1-carboxamide
CID 8780376

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[4-(sulfamoylmethyl)phenyl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of (1R)-N-[4-(sulfamoylmethyl)phenyl]cyclohex-3-ene-1-carboxamide (CID 25498236) is (1R)-N-[4-(sulfamoylmethyl)phenyl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for (1R)-N-[4-(sulfamoylmethyl)phenyl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for (1R)-N-[4-(sulfamoylmethyl)phenyl]cyclohex-3-ene-1-carboxamide is NS(=O)(=O)Cc1ccc(NC(=O)[C@H]2CC=CCC2)cc1.
What is the InChIKey of (1R)-N-[4-(sulfamoylmethyl)phenyl]cyclohex-3-ene-1-carboxamide?
The InChIKey is KDVUBZRFHRDDDQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H18N2O3S/c15-20(18,19)10-11-6-8-13(9-7-11)16-14(17)12-4-2-1-3-5-12/h1-2,6-9,12H,3-5,10H2,(H,16,17)(H2,15,18,19)/t12-/m0/s1.
What are the key properties of (1R)-N-[4-(sulfamoylmethyl)phenyl]cyclohex-3-ene-1-carboxamide?
(1R)-N-[4-(sulfamoylmethyl)phenyl]cyclohex-3-ene-1-carboxamide has a molecular weight of 294.38 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[4-(sulfamoylmethyl)phenyl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 25498236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).