1-(2-bromophenyl)sulfonyl-N-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxamide

C17H24BrN3O3S — CID 175667703

IUPAC1-(2-bromophenyl)sulfonyl-N-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxamide
SMILESCN1CCC(NC(=O)C2CCN(S(=O)(=O)c3ccccc3Br)C2)CC1
InChIInChI=1S/C17H24BrN3O3S/c1-20-9-7-14(8-10-20)19-17(22)13-6-11-21(12-13)25(23,24)16-5-3-2-4-15(16)18/h2-5,13-14H,6-12H2,1H3,(H,19,22)
InChIKeyIVAHTRKXTXDGQU-UHFFFAOYSA-N
MW430.37 g/mol
LogP1.67
Rot. Bonds4

About 1-(2-bromophenyl)sulfonyl-N-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxamide

1-(2-bromophenyl)sulfonyl-N-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxamide (PubChem CID 175667703) has the molecular formula C17H24BrN3O3S and a molecular weight of 430.37 g/mol. Its IUPAC name is 1-(2-bromophenyl)sulfonyl-N-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-bromophenyl)sulfonyl-N-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxamide
PubChem CID175667703
Molecular FormulaC17H24BrN3O3S
Molecular Weight430.37 g/mol
Exact Mass429.07
IUPAC Name1-(2-bromophenyl)sulfonyl-N-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxamide
SMILESCN1CCC(NC(=O)C2CCN(S(=O)(=O)c3ccccc3Br)C2)CC1
InChIInChI=1S/C17H24BrN3O3S/c1-20-9-7-14(8-10-20)19-17(22)13-6-11-21(12-13)25(23,24)16-5-3-2-4-15(16)18/h2-5,13-14H,6-12H2,1H3,(H,19,22)
InChIKeyIVAHTRKXTXDGQU-UHFFFAOYSA-N
XLogP1.67
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.37
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-bromophenyl)sulfonyl-N-cyclohexylpyrrolidine-3-carboxamide
CID 175667701
(3R)-1-(4-fluorophenyl)sulfonyl-N-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxamide
CID 92633582
N-(4-hydroxycyclohexyl)-1-(2-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 73023864
(3S)-N-(1-methylpiperidin-4-yl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 99967793
1-(3-bromophenyl)sulfonyl-N-cyclohexylpyrrolidine-3-carboxamide
CID 175666701
[1-(2-bromophenyl)sulfonylpyrrolidin-3-yl]-(3,3-difluoropiperidin-1-yl)methanone
CID 175667715
2-[1-(2-bromophenyl)sulfonylpyrrolidin-3-yl]triazole
CID 121178865
1-(2-bromophenyl)sulfonyl-4-methyl-1,4-diazepane
CID 2468104
2-[4-(oxan-4-ylcarbamoyl)piperidin-1-yl]sulfonylbenzoic acid
CID 119180961
1-(4-ethoxyphenyl)sulfonyl-N-(1-methylpiperidin-4-yl)piperidine-4-carboxamide
CID 99967818
N-(2-bromophenyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 2192347
3-(benzenesulfonyl)-1-(2-bromophenyl)sulfonylpyrrolidine
CID 90585024

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)sulfonyl-N-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-bromophenyl)sulfonyl-N-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxamide (CID 175667703) is 1-(2-bromophenyl)sulfonyl-N-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-bromophenyl)sulfonyl-N-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-bromophenyl)sulfonyl-N-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxamide is CN1CCC(NC(=O)C2CCN(S(=O)(=O)c3ccccc3Br)C2)CC1.
What is the InChIKey of 1-(2-bromophenyl)sulfonyl-N-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxamide?
The InChIKey is IVAHTRKXTXDGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrN3O3S/c1-20-9-7-14(8-10-20)19-17(22)13-6-11-21(12-13)25(23,24)16-5-3-2-4-15(16)18/h2-5,13-14H,6-12H2,1H3,(H,19,22).
What are the key properties of 1-(2-bromophenyl)sulfonyl-N-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxamide?
1-(2-bromophenyl)sulfonyl-N-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxamide has a molecular weight of 430.37 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)sulfonyl-N-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 175667703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).