3-[(4-bromocyclohexyl)sulfamoyl]-N-(2-methylcyclohexyl)cyclohexane-1-carboxamide

C20H35BrN2O3S — CID 171400541

IUPAC3-[(4-bromocyclohexyl)sulfamoyl]-N-(2-methylcyclohexyl)cyclohexane-1-carboxamide
SMILESCC1CCCCC1NC(=O)C1CCCC(S(=O)(=O)NC2CCC(Br)CC2)C1
InChIInChI=1S/C20H35BrN2O3S/c1-14-5-2-3-8-19(14)22-20(24)15-6-4-7-18(13-15)27(25,26)23-17-11-9-16(21)10-12-17/h14-19,23H,2-13H2,1H3,(H,22,24)
InChIKeyOVBGBYRJECNTGX-UHFFFAOYSA-N
MW463.48 g/mol
LogP3.87
Rot. Bonds5

About 3-[(4-bromocyclohexyl)sulfamoyl]-N-(2-methylcyclohexyl)cyclohexane-1-carboxamide

3-[(4-bromocyclohexyl)sulfamoyl]-N-(2-methylcyclohexyl)cyclohexane-1-carboxamide (PubChem CID 171400541) has the molecular formula C20H35BrN2O3S and a molecular weight of 463.48 g/mol. Its IUPAC name is 3-[(4-bromocyclohexyl)sulfamoyl]-N-(2-methylcyclohexyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-[(4-bromocyclohexyl)sulfamoyl]-N-(2-methylcyclohexyl)cyclohexane-1-carboxamide
PubChem CID171400541
Molecular FormulaC20H35BrN2O3S
Molecular Weight463.48 g/mol
Exact Mass462.16
IUPAC Name3-[(4-bromocyclohexyl)sulfamoyl]-N-(2-methylcyclohexyl)cyclohexane-1-carboxamide
SMILESCC1CCCCC1NC(=O)C1CCCC(S(=O)(=O)NC2CCC(Br)CC2)C1
InChIInChI=1S/C20H35BrN2O3S/c1-14-5-2-3-8-19(14)22-20(24)15-6-4-7-18(13-15)27(25,26)23-17-11-9-16(21)10-12-17/h14-19,23H,2-13H2,1H3,(H,22,24)
InChIKeyOVBGBYRJECNTGX-UHFFFAOYSA-N
XLogP3.87
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.48
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-bromocyclohexyl)sulfamoyl]-N-[(2-fluorocyclohexyl)methyl]cyclohexane-1-carboxamide
CID 171400608
3-[(4-bromocyclohexyl)sulfamoyl]-N-(4-morpholin-4-ylcyclohexyl)cyclohexane-1-carboxamide
CID 171400620
N-(4-bromocyclohexyl)cyclohexanesulfonamide
CID 114295814
2-methyl-N-(2-methylcyclohexyl)cyclopropane-1-carboxamide
CID 4084655
cis-(1R,3S)-3-(cyclohexylsulfonylamino)cyclopentane-1-carboxylic acid
CID 114173300
1-ethylsulfonyl-N-[(1S,2R)-2-methylcyclohexyl]piperidine-4-carboxamide
CID 40516825
(3R)-N-(2-methylcycloheptyl)piperidine-3-carboxamide
CID 81134931
tert-butyl (3S)-3-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]piperidine-1-carboxylate
CID 124750324
(1S)-N-[(1S,2R)-2-methylcyclohexyl]cyclohex-3-ene-1-carboxamide
CID 100842555
(2S)-N-[(1R,2R)-2-methylcyclohexyl]-1-methylsulfonylpiperidine-2-carboxamide
CID 94808986
3-amino-N-(2,3-dimethylcyclohexyl)cyclopentane-1-carboxamide;hydrochloride
CID 119676180
6-methyl-N-(2-methylcyclohexyl)piperidine-3-carboxamide
CID 24707818

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromocyclohexyl)sulfamoyl]-N-(2-methylcyclohexyl)cyclohexane-1-carboxamide?
The IUPAC name of 3-[(4-bromocyclohexyl)sulfamoyl]-N-(2-methylcyclohexyl)cyclohexane-1-carboxamide (CID 171400541) is 3-[(4-bromocyclohexyl)sulfamoyl]-N-(2-methylcyclohexyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-[(4-bromocyclohexyl)sulfamoyl]-N-(2-methylcyclohexyl)cyclohexane-1-carboxamide?
The canonical SMILES for 3-[(4-bromocyclohexyl)sulfamoyl]-N-(2-methylcyclohexyl)cyclohexane-1-carboxamide is CC1CCCCC1NC(=O)C1CCCC(S(=O)(=O)NC2CCC(Br)CC2)C1.
What is the InChIKey of 3-[(4-bromocyclohexyl)sulfamoyl]-N-(2-methylcyclohexyl)cyclohexane-1-carboxamide?
The InChIKey is OVBGBYRJECNTGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35BrN2O3S/c1-14-5-2-3-8-19(14)22-20(24)15-6-4-7-18(13-15)27(25,26)23-17-11-9-16(21)10-12-17/h14-19,23H,2-13H2,1H3,(H,22,24).
What are the key properties of 3-[(4-bromocyclohexyl)sulfamoyl]-N-(2-methylcyclohexyl)cyclohexane-1-carboxamide?
3-[(4-bromocyclohexyl)sulfamoyl]-N-(2-methylcyclohexyl)cyclohexane-1-carboxamide has a molecular weight of 463.48 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromocyclohexyl)sulfamoyl]-N-(2-methylcyclohexyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 171400541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).