N-[2-bromo-4-[(4-methylpiperidin-3-yl)sulfamoyl]phenyl]acetamide

C14H20BrN3O3S — CID 120723238

IUPACN-[2-bromo-4-[(4-methylpiperidin-3-yl)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NC2CNCCC2C)cc1Br
InChIInChI=1S/C14H20BrN3O3S/c1-9-5-6-16-8-14(9)18-22(20,21)11-3-4-13(12(15)7-11)17-10(2)19/h3-4,7,9,14,16,18H,5-6,8H2,1-2H3,(H,17,19)
InChIKeyVLJHKFCVPOKTQP-UHFFFAOYSA-N
MW390.30 g/mol
LogP1.68
Rot. Bonds4

About N-[2-bromo-4-[(4-methylpiperidin-3-yl)sulfamoyl]phenyl]acetamide

N-[2-bromo-4-[(4-methylpiperidin-3-yl)sulfamoyl]phenyl]acetamide (PubChem CID 120723238) has the molecular formula C14H20BrN3O3S and a molecular weight of 390.30 g/mol. Its IUPAC name is N-[2-bromo-4-[(4-methylpiperidin-3-yl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-bromo-4-[(4-methylpiperidin-3-yl)sulfamoyl]phenyl]acetamide
PubChem CID120723238
Molecular FormulaC14H20BrN3O3S
Molecular Weight390.30 g/mol
Exact Mass389.04
IUPAC NameN-[2-bromo-4-[(4-methylpiperidin-3-yl)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NC2CNCCC2C)cc1Br
InChIInChI=1S/C14H20BrN3O3S/c1-9-5-6-16-8-14(9)18-22(20,21)11-3-4-13(12(15)7-11)17-10(2)19/h3-4,7,9,14,16,18H,5-6,8H2,1-2H3,(H,17,19)
InChIKeyVLJHKFCVPOKTQP-UHFFFAOYSA-N
XLogP1.68
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.30
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-bromo-4-[(4-methylpiperidin-3-yl)sulfamoyl]phenyl]acetamide;hydrochloride
CID 120723237
N-[2-bromo-4-(pyrrolidin-3-ylsulfamoyl)phenyl]acetamide
CID 120707655
N-[2-bromo-4-[(2-methylpiperidin-3-yl)sulfamoyl]phenyl]acetamide;hydrochloride
CID 120726813
3,4-dichloro-N-(4-methylpiperidin-3-yl)benzenesulfonamide
CID 120722990
1-acetyl-N-(4-methylpiperidin-3-yl)-3,4-dihydro-2H-quinoline-7-sulfonamide
CID 120723261
3-methyl-N-(4-methylpiperidin-3-yl)benzenesulfonamide
CID 55202262
methyl 4-[(4-methylpiperidin-3-yl)sulfamoyl]benzoate;hydrochloride
CID 120723104
3-fluoro-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
CID 120722663
3-fluoro-N-(4-methylpiperidin-3-yl)-4-methylsulfonylbenzenesulfonamide;hydrochloride
CID 120722763
N-(4-methylpiperidin-3-yl)-4-phenylbenzenesulfonamide;hydrochloride
CID 120722805
3-cyano-4-fluoro-N-(4-methylpiperidin-3-yl)benzenesulfonamide
CID 120722842
N-[2-fluoro-5-(pyrrolidin-3-ylsulfamoyl)phenyl]acetamide
CID 119967297

Frequently Asked Questions

What is the IUPAC name of N-[2-bromo-4-[(4-methylpiperidin-3-yl)sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[2-bromo-4-[(4-methylpiperidin-3-yl)sulfamoyl]phenyl]acetamide (CID 120723238) is N-[2-bromo-4-[(4-methylpiperidin-3-yl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[2-bromo-4-[(4-methylpiperidin-3-yl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[2-bromo-4-[(4-methylpiperidin-3-yl)sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)NC2CNCCC2C)cc1Br.
What is the InChIKey of N-[2-bromo-4-[(4-methylpiperidin-3-yl)sulfamoyl]phenyl]acetamide?
The InChIKey is VLJHKFCVPOKTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O3S/c1-9-5-6-16-8-14(9)18-22(20,21)11-3-4-13(12(15)7-11)17-10(2)19/h3-4,7,9,14,16,18H,5-6,8H2,1-2H3,(H,17,19).
What are the key properties of N-[2-bromo-4-[(4-methylpiperidin-3-yl)sulfamoyl]phenyl]acetamide?
N-[2-bromo-4-[(4-methylpiperidin-3-yl)sulfamoyl]phenyl]acetamide has a molecular weight of 390.30 g/mol, XLogP of 1.68, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-bromo-4-[(4-methylpiperidin-3-yl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 120723238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).