1-(3-bromophenyl)sulfonyl-N-cyclohexylpyrrolidine-3-carboxamide

C17H23BrN2O3S — CID 175666701

IUPAC1-(3-bromophenyl)sulfonyl-N-cyclohexylpyrrolidine-3-carboxamide
SMILESO=C(NC1CCCCC1)C1CCN(S(=O)(=O)c2cccc(Br)c2)C1
InChIInChI=1S/C17H23BrN2O3S/c18-14-5-4-8-16(11-14)24(22,23)20-10-9-13(12-20)17(21)19-15-6-2-1-3-7-15/h4-5,8,11,13,15H,1-3,6-7,9-10,12H2,(H,19,21)
InChIKeyALZZSFCXYPNUIK-UHFFFAOYSA-N
MW415.35 g/mol
LogP2.91
Rot. Bonds4

About 1-(3-bromophenyl)sulfonyl-N-cyclohexylpyrrolidine-3-carboxamide

1-(3-bromophenyl)sulfonyl-N-cyclohexylpyrrolidine-3-carboxamide (PubChem CID 175666701) has the molecular formula C17H23BrN2O3S and a molecular weight of 415.35 g/mol. Its IUPAC name is 1-(3-bromophenyl)sulfonyl-N-cyclohexylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-bromophenyl)sulfonyl-N-cyclohexylpyrrolidine-3-carboxamide
PubChem CID175666701
Molecular FormulaC17H23BrN2O3S
Molecular Weight415.35 g/mol
Exact Mass414.06
IUPAC Name1-(3-bromophenyl)sulfonyl-N-cyclohexylpyrrolidine-3-carboxamide
SMILESO=C(NC1CCCCC1)C1CCN(S(=O)(=O)c2cccc(Br)c2)C1
InChIInChI=1S/C17H23BrN2O3S/c18-14-5-4-8-16(11-14)24(22,23)20-10-9-13(12-20)17(21)19-15-6-2-1-3-7-15/h4-5,8,11,13,15H,1-3,6-7,9-10,12H2,(H,19,21)
InChIKeyALZZSFCXYPNUIK-UHFFFAOYSA-N
XLogP2.91
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.35
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)sulfonyl-N-cycloheptylpiperidine-3-carboxamide
CID 69262233
methyl 1-(3-bromophenyl)sulfonylpyrrolidine-3-carboxylate
CID 47305556
(3S)-1-(benzenesulfonyl)-N-cycloheptylpiperidine-3-carboxamide
CID 39898448
1-(2-bromophenyl)sulfonyl-N-cyclohexylpyrrolidine-3-carboxamide
CID 175667701
(3S)-N-cyclohexyl-1-(3-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 11531019
(3S)-N-cyclohexyl-1-(3-phenoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 11619138
(4aS,8aS)-2-(3-bromophenyl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline
CID 11926600
N-[1-(3-chlorophenyl)sulfonylpiperidin-3-yl]cyclohexanecarboxamide
CID 68875719
(3R)-1-(4-bromophenyl)sulfonyl-N-cyclopropylpiperidine-3-carboxamide
CID 41302436
N-cycloheptyl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 4137817
(3S)-N-cycloheptyl-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 9268767
[1-(3-bromophenyl)sulfonylpyrrolidin-3-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 175666716

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)sulfonyl-N-cyclohexylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(3-bromophenyl)sulfonyl-N-cyclohexylpyrrolidine-3-carboxamide (CID 175666701) is 1-(3-bromophenyl)sulfonyl-N-cyclohexylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3-bromophenyl)sulfonyl-N-cyclohexylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3-bromophenyl)sulfonyl-N-cyclohexylpyrrolidine-3-carboxamide is O=C(NC1CCCCC1)C1CCN(S(=O)(=O)c2cccc(Br)c2)C1.
What is the InChIKey of 1-(3-bromophenyl)sulfonyl-N-cyclohexylpyrrolidine-3-carboxamide?
The InChIKey is ALZZSFCXYPNUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrN2O3S/c18-14-5-4-8-16(11-14)24(22,23)20-10-9-13(12-20)17(21)19-15-6-2-1-3-7-15/h4-5,8,11,13,15H,1-3,6-7,9-10,12H2,(H,19,21).
What are the key properties of 1-(3-bromophenyl)sulfonyl-N-cyclohexylpyrrolidine-3-carboxamide?
1-(3-bromophenyl)sulfonyl-N-cyclohexylpyrrolidine-3-carboxamide has a molecular weight of 415.35 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)sulfonyl-N-cyclohexylpyrrolidine-3-carboxamide is sourced from PubChem (CID 175666701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).