4-bromo-N-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide

C13H19BrN2O2S — CID 106630836

IUPAC4-bromo-N-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide
SMILESCN(CC1CCCNC1)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C13H19BrN2O2S/c1-16(10-11-3-2-8-15-9-11)19(17,18)13-6-4-12(14)5-7-13/h4-7,11,15H,2-3,8-10H2,1H3
InChIKeyILLQDSPWTVMTPJ-UHFFFAOYSA-N
MW347.28 g/mol
LogP2.07
Rot. Bonds4

About 4-bromo-N-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide

4-bromo-N-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide (PubChem CID 106630836) has the molecular formula C13H19BrN2O2S and a molecular weight of 347.28 g/mol. Its IUPAC name is 4-bromo-N-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide
PubChem CID106630836
Molecular FormulaC13H19BrN2O2S
Molecular Weight347.28 g/mol
Exact Mass346.04
IUPAC Name4-bromo-N-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide
SMILESCN(CC1CCCNC1)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C13H19BrN2O2S/c1-16(10-11-3-2-8-15-9-11)19(17,18)13-6-4-12(14)5-7-13/h4-7,11,15H,2-3,8-10H2,1H3
InChIKeyILLQDSPWTVMTPJ-UHFFFAOYSA-N
XLogP2.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.28
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(piperidin-3-ylmethyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 106630837
3-cyano-N-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide
CID 106630767
2,6-difluoro-N-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide
CID 106630731
2,3,4-trifluoro-N-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide
CID 106630762
4-bromo-N-methyl-N-(oxiran-2-ylmethyl)benzenesulfonamide
CID 87253101
4-bromo-N-methyl-N-[[(2S)-oxiran-2-yl]methyl]benzenesulfonamide
CID 87253100
N-(piperidin-3-ylmethyl)-N-propan-2-ylbenzenesulfonamide
CID 106630983
4-fluoro-N-(piperidin-3-ylmethyl)-N-propylbenzenesulfonamide
CID 106631281
3-fluoro-N-methyl-N-(piperidin-3-ylmethyl)pyridine-2-sulfonamide
CID 106630898
4-chloro-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzenesulfonamide
CID 106631237
1-cyclopropyl-N-methyl-N-(piperidin-3-ylmethyl)methanesulfonamide
CID 106630892
N-methyl-N-(pyrrolidin-3-ylmethyl)pyridine-3-sulfonamide
CID 115272244

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-bromo-N-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide (CID 106630836) is 4-bromo-N-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-N-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide is CN(CC1CCCNC1)S(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide?
The InChIKey is ILLQDSPWTVMTPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2S/c1-16(10-11-3-2-8-15-9-11)19(17,18)13-6-4-12(14)5-7-13/h4-7,11,15H,2-3,8-10H2,1H3.
What are the key properties of 4-bromo-N-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide?
4-bromo-N-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide has a molecular weight of 347.28 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 106630836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).