4-bromo-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide

C13H19BrN2O2S — CID 60639726

IUPAC4-bromo-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
SMILESCN1CCC(N(C)S(=O)(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C13H19BrN2O2S/c1-15-9-7-12(8-10-15)16(2)19(17,18)13-5-3-11(14)4-6-13/h3-6,12H,7-10H2,1-2H3
InChIKeyLSRBWCHGIMFIAF-UHFFFAOYSA-N
MW347.28 g/mol
LogP2.16
Rot. Bonds3

About 4-bromo-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide

4-bromo-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide (PubChem CID 60639726) has the molecular formula C13H19BrN2O2S and a molecular weight of 347.28 g/mol. Its IUPAC name is 4-bromo-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
PubChem CID60639726
Molecular FormulaC13H19BrN2O2S
Molecular Weight347.28 g/mol
Exact Mass346.04
IUPAC Name4-bromo-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
SMILESCN1CCC(N(C)S(=O)(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C13H19BrN2O2S/c1-15-9-7-12(8-10-15)16(2)19(17,18)13-5-3-11(14)4-6-13/h3-6,12H,7-10H2,1-2H3
InChIKeyLSRBWCHGIMFIAF-UHFFFAOYSA-N
XLogP2.16
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.28
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-cyclobutyl-N-methylbenzenesulfonamide
CID 115650716
4-bromo-N-cyclopentyl-N-methylbenzenesulfonamide
CID 28632510
4-ethyl-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 57393432
4-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 715058
N-methyl-N-(1-methylpiperidin-4-yl)-4-phenylbenzenesulfonamide
CID 57398674
4-bromo-N-(1,1-dioxothiolan-3-yl)-N-methylbenzenesulfonamide
CID 47113368
4-amino-N-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]benzenesulfonamide
CID 129391721
N-methyl-N-(1-methylpiperidin-4-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 2470338
4-bromo-N-methyl-N-[4-(2-morpholin-4-ylethoxy)cyclohexyl]benzenesulfonamide
CID 22568119
3-chloro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 57395160
3-amino-4-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 28517555
N-methyl-N-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 4986715

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide?
The IUPAC name of 4-bromo-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide (CID 60639726) is 4-bromo-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide?
The canonical SMILES for 4-bromo-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide is CN1CCC(N(C)S(=O)(=O)c2ccc(Br)cc2)CC1.
What is the InChIKey of 4-bromo-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide?
The InChIKey is LSRBWCHGIMFIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2S/c1-15-9-7-12(8-10-15)16(2)19(17,18)13-5-3-11(14)4-6-13/h3-6,12H,7-10H2,1-2H3.
What are the key properties of 4-bromo-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide?
4-bromo-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide has a molecular weight of 347.28 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide is sourced from PubChem (CID 60639726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).