N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-4-propan-2-ylbenzenesulfonamide

C20H30N2O3S — CID 127470965

IUPACN-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-4-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)NC2CCN(C(=O)C3CCCCC3)C2)cc1
InChIInChI=1S/C20H30N2O3S/c1-15(2)16-8-10-19(11-9-16)26(24,25)21-18-12-13-22(14-18)20(23)17-6-4-3-5-7-17/h8-11,15,17-18,21H,3-7,12-14H2,1-2H3
InChIKeyIJVAQCYYRQAMGE-UHFFFAOYSA-N
MW378.54 g/mol
LogP3.27
Rot. Bonds5

About N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-4-propan-2-ylbenzenesulfonamide

N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-4-propan-2-ylbenzenesulfonamide (PubChem CID 127470965) has the molecular formula C20H30N2O3S and a molecular weight of 378.54 g/mol. Its IUPAC name is N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-4-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-4-propan-2-ylbenzenesulfonamide
PubChem CID127470965
Molecular FormulaC20H30N2O3S
Molecular Weight378.54 g/mol
Exact Mass378.20
IUPAC NameN-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-4-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)NC2CCN(C(=O)C3CCCCC3)C2)cc1
InChIInChI=1S/C20H30N2O3S/c1-15(2)16-8-10-19(11-9-16)26(24,25)21-18-12-13-22(14-18)20(23)17-6-4-3-5-7-17/h8-11,15,17-18,21H,3-7,12-14H2,1-2H3
InChIKeyIJVAQCYYRQAMGE-UHFFFAOYSA-N
XLogP3.27
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.54
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-4-propan-2-ylbenzenesulfonamide
CID 6469335
N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-5-ethylthiophene-2-sulfonamide
CID 127470974
N-[(3R)-1-ethylpiperidin-3-yl]-4-propan-2-ylbenzenesulfonamide
CID 52534305
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methoxybenzenesulfonamide
CID 50823745
4-(1-hydroxyethyl)-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide
CID 61465004
1-[4-[3-(4-propan-2-ylanilino)piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 45235641
N-[1-[2-(4-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]benzenesulfonamide
CID 108565261
4-(1-aminoethyl)-N-cycloheptylbenzenesulfonamide
CID 43167801
4-propan-2-yl-N-(1-propylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 51110179
4-propan-2-yl-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide
CID 90621471
N-[(3S)-1-(cyclobutanecarbonyl)piperidin-3-yl]-3-fluorobenzenesulfonamide
CID 95304010
N-[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methanesulfonamide
CID 95051787

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-4-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-4-propan-2-ylbenzenesulfonamide (CID 127470965) is N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-4-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-4-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-4-propan-2-ylbenzenesulfonamide is CC(C)c1ccc(S(=O)(=O)NC2CCN(C(=O)C3CCCCC3)C2)cc1.
What is the InChIKey of N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-4-propan-2-ylbenzenesulfonamide?
The InChIKey is IJVAQCYYRQAMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3S/c1-15(2)16-8-10-19(11-9-16)26(24,25)21-18-12-13-22(14-18)20(23)17-6-4-3-5-7-17/h8-11,15,17-18,21H,3-7,12-14H2,1-2H3.
What are the key properties of N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-4-propan-2-ylbenzenesulfonamide?
N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-4-propan-2-ylbenzenesulfonamide has a molecular weight of 378.54 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-4-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 127470965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).