1-(4-bromophenyl)sulfonyl-N-cycloheptylpyrrolidine-2-carboxamide

C18H25BrN2O3S — CID 24617140

IUPAC1-(4-bromophenyl)sulfonyl-N-cycloheptylpyrrolidine-2-carboxamide
SMILESO=C(NC1CCCCCC1)C1CCCN1S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C18H25BrN2O3S/c19-14-9-11-16(12-10-14)25(23,24)21-13-5-8-17(21)18(22)20-15-6-3-1-2-4-7-15/h9-12,15,17H,1-8,13H2,(H,20,22)
InChIKeyCPVFMMPMHFBJNO-UHFFFAOYSA-N
MW429.38 g/mol
LogP3.44
Rot. Bonds4

About 1-(4-bromophenyl)sulfonyl-N-cycloheptylpyrrolidine-2-carboxamide

1-(4-bromophenyl)sulfonyl-N-cycloheptylpyrrolidine-2-carboxamide (PubChem CID 24617140) has the molecular formula C18H25BrN2O3S and a molecular weight of 429.38 g/mol. Its IUPAC name is 1-(4-bromophenyl)sulfonyl-N-cycloheptylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)sulfonyl-N-cycloheptylpyrrolidine-2-carboxamide
PubChem CID24617140
Molecular FormulaC18H25BrN2O3S
Molecular Weight429.38 g/mol
Exact Mass428.08
IUPAC Name1-(4-bromophenyl)sulfonyl-N-cycloheptylpyrrolidine-2-carboxamide
SMILESO=C(NC1CCCCCC1)C1CCCN1S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C18H25BrN2O3S/c19-14-9-11-16(12-10-14)25(23,24)21-13-5-8-17(21)18(22)20-15-6-3-1-2-4-7-15/h9-12,15,17H,1-8,13H2,(H,20,22)
InChIKeyCPVFMMPMHFBJNO-UHFFFAOYSA-N
XLogP3.44
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.38
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-cyclopentyl-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide
CID 92865510
1-(benzenesulfonyl)-N-cyclopentylpiperidine-2-carboxamide
CID 51159553
1-(4-chlorophenyl)sulfonyl-N-cyclopropylpyrrolidine-2-carboxamide
CID 43011395
(2S)-1-(4-chlorophenyl)sulfonyl-N-cyclopropylpiperidine-2-carboxamide
CID 92887706
1-(4-bromophenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 2765073
1-(4-bromophenyl)sulfonyl-N-phenylpiperidine-2-carboxamide
CID 24604772
azepan-1-yl-[1-(4-bromophenyl)sulfonylpiperidin-2-yl]methanone
CID 24604648
1-(4-bromophenyl)sulfonyl-N-(3,5-dimethylphenyl)pyrrolidine-2-carboxamide
CID 24617125
(2S)-1-(4-bromophenyl)sulfonyl-N-(4-fluorophenyl)pyrrolidine-2-carboxamide
CID 1487032
N-cyclopropyl-1-[4-(2-methoxyethoxy)phenyl]sulfonylpyrrolidine-2-carboxamide
CID 46596105
N-cyclohexyl-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpyrrolidine-2-carboxamide
CID 46274726
1-(4-bromophenyl)sulfonyl-N-(2-methylpropyl)piperidine-2-carboxamide
CID 24615754

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)sulfonyl-N-cycloheptylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(4-bromophenyl)sulfonyl-N-cycloheptylpyrrolidine-2-carboxamide (CID 24617140) is 1-(4-bromophenyl)sulfonyl-N-cycloheptylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)sulfonyl-N-cycloheptylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)sulfonyl-N-cycloheptylpyrrolidine-2-carboxamide is O=C(NC1CCCCCC1)C1CCCN1S(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)sulfonyl-N-cycloheptylpyrrolidine-2-carboxamide?
The InChIKey is CPVFMMPMHFBJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25BrN2O3S/c19-14-9-11-16(12-10-14)25(23,24)21-13-5-8-17(21)18(22)20-15-6-3-1-2-4-7-15/h9-12,15,17H,1-8,13H2,(H,20,22).
What are the key properties of 1-(4-bromophenyl)sulfonyl-N-cycloheptylpyrrolidine-2-carboxamide?
1-(4-bromophenyl)sulfonyl-N-cycloheptylpyrrolidine-2-carboxamide has a molecular weight of 429.38 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)sulfonyl-N-cycloheptylpyrrolidine-2-carboxamide is sourced from PubChem (CID 24617140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).