N-[1-(3-sulfamoylphenyl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide

C15H20N2O3S — CID 79593537

IUPACN-[1-(3-sulfamoylphenyl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide
SMILESCC(NC(=O)C1C2CCCC21)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C15H20N2O3S/c1-9(10-4-2-5-11(8-10)21(16,19)20)17-15(18)14-12-6-3-7-13(12)14/h2,4-5,8-9,12-14H,3,6-7H2,1H3,(H,17,18)(H2,16,19,20)
InChIKeyOVMCYSRBDSBXFO-UHFFFAOYSA-N
MW308.40 g/mol
LogP1.56
Rot. Bonds4

About N-[1-(3-sulfamoylphenyl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide

N-[1-(3-sulfamoylphenyl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 79593537) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is N-[1-(3-sulfamoylphenyl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound NameN-[1-(3-sulfamoylphenyl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide
PubChem CID79593537
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC NameN-[1-(3-sulfamoylphenyl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide
SMILESCC(NC(=O)C1C2CCCC21)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C15H20N2O3S/c1-9(10-4-2-5-11(8-10)21(16,19)20)17-15(18)14-12-6-3-7-13(12)14/h2,4-5,8-9,12-14H,3,6-7H2,1H3,(H,17,18)(H2,16,19,20)
InChIKeyOVMCYSRBDSBXFO-UHFFFAOYSA-N
XLogP1.56
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-N-[1-(3-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide
CID 103839225
3-[1-(cyclobutylamino)ethyl]benzenesulfonamide
CID 62414933
3-[1-(cyclopentylamino)ethyl]benzenesulfonamide
CID 43756468
3-[1-(propan-2-ylamino)ethyl]benzenesulfonamide
CID 43232021
3-[1-[(2-hydroxycyclohexyl)amino]ethyl]benzenesulfonamide
CID 62360873
cis-(1R,2S)-2-(2-fluorophenyl)-N-[(1S)-1-(3-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide
CID 97021078
(2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)-N-[(1S)-1-(3-sulfamoylphenyl)ethyl]oxolane-3-carboxamide
CID 129325296
3-[1-(1-cyclopropylethylamino)ethyl]benzenesulfonamide
CID 43776526
1,1-diethyl-3-[1-(3-sulfamoylphenyl)ethyl]urea
CID 112729478
N-[1-(4-bromophenyl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 79673733
3-amino-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119771212
3-methyl-N-[1-(3-sulfamoylphenyl)ethyl]pentanamide
CID 114876353

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-sulfamoylphenyl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of N-[1-(3-sulfamoylphenyl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide (CID 79593537) is N-[1-(3-sulfamoylphenyl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for N-[1-(3-sulfamoylphenyl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for N-[1-(3-sulfamoylphenyl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide is CC(NC(=O)C1C2CCCC21)c1cccc(S(N)(=O)=O)c1.
What is the InChIKey of N-[1-(3-sulfamoylphenyl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is OVMCYSRBDSBXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-9(10-4-2-5-11(8-10)21(16,19)20)17-15(18)14-12-6-3-7-13(12)14/h2,4-5,8-9,12-14H,3,6-7H2,1H3,(H,17,18)(H2,16,19,20).
What are the key properties of N-[1-(3-sulfamoylphenyl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide?
N-[1-(3-sulfamoylphenyl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 308.40 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-sulfamoylphenyl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 79593537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).