2-bromo-N-methyl-N-(4-methylpentan-2-yl)-5-piperidin-1-ylsulfonylbenzamide

C19H29BrN2O3S — CID 43067406

IUPAC2-bromo-N-methyl-N-(4-methylpentan-2-yl)-5-piperidin-1-ylsulfonylbenzamide
SMILESCC(C)CC(C)N(C)C(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Br
InChIInChI=1S/C19H29BrN2O3S/c1-14(2)12-15(3)21(4)19(23)17-13-16(8-9-18(17)20)26(24,25)22-10-6-5-7-11-22/h8-9,13-15H,5-7,10-12H2,1-4H3
InChIKeyJTMUHRQDCUQNPK-UHFFFAOYSA-N
MW445.42 g/mol
LogP4.13
Rot. Bonds6

About 2-bromo-N-methyl-N-(4-methylpentan-2-yl)-5-piperidin-1-ylsulfonylbenzamide

2-bromo-N-methyl-N-(4-methylpentan-2-yl)-5-piperidin-1-ylsulfonylbenzamide (PubChem CID 43067406) has the molecular formula C19H29BrN2O3S and a molecular weight of 445.42 g/mol. Its IUPAC name is 2-bromo-N-methyl-N-(4-methylpentan-2-yl)-5-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name2-bromo-N-methyl-N-(4-methylpentan-2-yl)-5-piperidin-1-ylsulfonylbenzamide
PubChem CID43067406
Molecular FormulaC19H29BrN2O3S
Molecular Weight445.42 g/mol
Exact Mass444.11
IUPAC Name2-bromo-N-methyl-N-(4-methylpentan-2-yl)-5-piperidin-1-ylsulfonylbenzamide
SMILESCC(C)CC(C)N(C)C(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Br
InChIInChI=1S/C19H29BrN2O3S/c1-14(2)12-15(3)21(4)19(23)17-13-16(8-9-18(17)20)26(24,25)22-10-6-5-7-11-22/h8-9,13-15H,5-7,10-12H2,1-4H3
InChIKeyJTMUHRQDCUQNPK-UHFFFAOYSA-N
XLogP4.13
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.42
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-(3-methylbutyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26253332
2-bromo-N-pentan-2-yl-5-piperidin-1-ylsulfonylbenzamide
CID 42904727
2-bromo-5-pyrrolidin-1-ylsulfonylbenzoic acid
CID 796412
2-bromo-N-(6-methylheptan-2-yl)-5-piperidin-1-ylsulfonylbenzamide
CID 43008075
5-(azepan-1-ylsulfonyl)-2-methoxy-N-methyl-N-(2-methylpropyl)benzamide
CID 134005830
2-bromo-5-methoxy-N-methyl-N-(4-methylpentan-2-yl)benzamide
CID 60745117
2-bromo-N-methyl-N-naphthalen-2-yl-5-pyrrolidin-1-ylsulfonylbenzamide
CID 55332785
(2-bromo-5-pyrrolidin-1-ylsulfonylphenyl)-pyrrolidin-1-ylmethanone
CID 32615367
2-bromo-N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-5-pyrrolidin-1-ylsulfonylbenzamide
CID 55897331
2-bromo-5-piperidin-1-ylsulfonyl-N-prop-2-enylbenzamide
CID 9442255
N,2-dimethyl-N-(1-phenylethyl)-5-piperidin-1-ylsulfonylbenzamide
CID 43021987
2-bromo-N-[4-(diethylamino)phenyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26087024

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-methyl-N-(4-methylpentan-2-yl)-5-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of 2-bromo-N-methyl-N-(4-methylpentan-2-yl)-5-piperidin-1-ylsulfonylbenzamide (CID 43067406) is 2-bromo-N-methyl-N-(4-methylpentan-2-yl)-5-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 2-bromo-N-methyl-N-(4-methylpentan-2-yl)-5-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for 2-bromo-N-methyl-N-(4-methylpentan-2-yl)-5-piperidin-1-ylsulfonylbenzamide is CC(C)CC(C)N(C)C(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Br.
What is the InChIKey of 2-bromo-N-methyl-N-(4-methylpentan-2-yl)-5-piperidin-1-ylsulfonylbenzamide?
The InChIKey is JTMUHRQDCUQNPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29BrN2O3S/c1-14(2)12-15(3)21(4)19(23)17-13-16(8-9-18(17)20)26(24,25)22-10-6-5-7-11-22/h8-9,13-15H,5-7,10-12H2,1-4H3.
What are the key properties of 2-bromo-N-methyl-N-(4-methylpentan-2-yl)-5-piperidin-1-ylsulfonylbenzamide?
2-bromo-N-methyl-N-(4-methylpentan-2-yl)-5-piperidin-1-ylsulfonylbenzamide has a molecular weight of 445.42 g/mol, XLogP of 4.13, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-methyl-N-(4-methylpentan-2-yl)-5-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 43067406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).