1-(2-bromophenyl)sulfonyl-N-cyclohexylpyrrolidine-3-carboxamide

C17H23BrN2O3S — CID 175667701

IUPAC1-(2-bromophenyl)sulfonyl-N-cyclohexylpyrrolidine-3-carboxamide
SMILESO=C(NC1CCCCC1)C1CCN(S(=O)(=O)c2ccccc2Br)C1
InChIInChI=1S/C17H23BrN2O3S/c18-15-8-4-5-9-16(15)24(22,23)20-11-10-13(12-20)17(21)19-14-6-2-1-3-7-14/h4-5,8-9,13-14H,1-3,6-7,10-12H2,(H,19,21)
InChIKeySCSRFQLTJPMTBI-UHFFFAOYSA-N
MW415.35 g/mol
LogP2.91
Rot. Bonds4

About 1-(2-bromophenyl)sulfonyl-N-cyclohexylpyrrolidine-3-carboxamide

1-(2-bromophenyl)sulfonyl-N-cyclohexylpyrrolidine-3-carboxamide (PubChem CID 175667701) has the molecular formula C17H23BrN2O3S and a molecular weight of 415.35 g/mol. Its IUPAC name is 1-(2-bromophenyl)sulfonyl-N-cyclohexylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-bromophenyl)sulfonyl-N-cyclohexylpyrrolidine-3-carboxamide
PubChem CID175667701
Molecular FormulaC17H23BrN2O3S
Molecular Weight415.35 g/mol
Exact Mass414.06
IUPAC Name1-(2-bromophenyl)sulfonyl-N-cyclohexylpyrrolidine-3-carboxamide
SMILESO=C(NC1CCCCC1)C1CCN(S(=O)(=O)c2ccccc2Br)C1
InChIInChI=1S/C17H23BrN2O3S/c18-15-8-4-5-9-16(15)24(22,23)20-11-10-13(12-20)17(21)19-14-6-2-1-3-7-14/h4-5,8-9,13-14H,1-3,6-7,10-12H2,(H,19,21)
InChIKeySCSRFQLTJPMTBI-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-(2-bromophenyl)sulfonyl-N-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxamide
CID 175667703
1-(3-bromophenyl)sulfonyl-N-cyclohexylpyrrolidine-3-carboxamide
CID 175666701
(3S)-1-(benzenesulfonyl)-N-cycloheptylpiperidine-3-carboxamide
CID 39898448
(3R)-1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-cycloheptylpiperidine-3-carboxamide
CID 7014300
N-(4-hydroxycyclohexyl)-1-(2-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 73023864
[1-(2-bromophenyl)sulfonylpyrrolidin-3-yl]-(3,3-difluoropiperidin-1-yl)methanone
CID 175667715
1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-cycloheptylpiperidine-4-carboxamide
CID 15994367
(3R)-N-cyclohexyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 7012508
1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-cyclopentylpiperidine-3-carboxamide
CID 4306785
1-(2-bromophenyl)sulfonyl-3-cyclohexylsulfonylazetidine
CID 90594041
(3S)-N-cycloheptyl-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 9268767
N-[1-(3-chloro-2-fluorophenyl)sulfonylpiperidin-3-yl]cyclohexanecarboxamide
CID 68873987

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)sulfonyl-N-cyclohexylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-bromophenyl)sulfonyl-N-cyclohexylpyrrolidine-3-carboxamide (CID 175667701) is 1-(2-bromophenyl)sulfonyl-N-cyclohexylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-bromophenyl)sulfonyl-N-cyclohexylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-bromophenyl)sulfonyl-N-cyclohexylpyrrolidine-3-carboxamide is O=C(NC1CCCCC1)C1CCN(S(=O)(=O)c2ccccc2Br)C1.
What is the InChIKey of 1-(2-bromophenyl)sulfonyl-N-cyclohexylpyrrolidine-3-carboxamide?
The InChIKey is SCSRFQLTJPMTBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrN2O3S/c18-15-8-4-5-9-16(15)24(22,23)20-11-10-13(12-20)17(21)19-14-6-2-1-3-7-14/h4-5,8-9,13-14H,1-3,6-7,10-12H2,(H,19,21).
What are the key properties of 1-(2-bromophenyl)sulfonyl-N-cyclohexylpyrrolidine-3-carboxamide?
1-(2-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-(2-bromophenyl)sulfonyl-N-cyclohexylpyrrolidine-3-carboxamide is sourced from PubChem (CID 175667701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).