N-(4-bromophenyl)-N-propylpiperazine-1-sulfonamide

C13H20BrN3O2S — CID 164863788

IUPACN-(4-bromophenyl)-N-propylpiperazine-1-sulfonamide
SMILESCCCN(c1ccc(Br)cc1)S(=O)(=O)N1CCNCC1
InChIInChI=1S/C13H20BrN3O2S/c1-2-9-17(13-5-3-12(14)4-6-13)20(18,19)16-10-7-15-8-11-16/h3-6,15H,2,7-11H2,1H3
InChIKeyUMXALZSMHOFMRW-UHFFFAOYSA-N
MW362.29 g/mol
LogP1.82
Rot. Bonds5

About N-(4-bromophenyl)-N-propylpiperazine-1-sulfonamide

N-(4-bromophenyl)-N-propylpiperazine-1-sulfonamide (PubChem CID 164863788) has the molecular formula C13H20BrN3O2S and a molecular weight of 362.29 g/mol. Its IUPAC name is N-(4-bromophenyl)-N-propylpiperazine-1-sulfonamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-N-propylpiperazine-1-sulfonamide
PubChem CID164863788
Molecular FormulaC13H20BrN3O2S
Molecular Weight362.29 g/mol
Exact Mass361.05
IUPAC NameN-(4-bromophenyl)-N-propylpiperazine-1-sulfonamide
SMILESCCCN(c1ccc(Br)cc1)S(=O)(=O)N1CCNCC1
InChIInChI=1S/C13H20BrN3O2S/c1-2-9-17(13-5-3-12(14)4-6-13)20(18,19)16-10-7-15-8-11-16/h3-6,15H,2,7-11H2,1H3
InChIKeyUMXALZSMHOFMRW-UHFFFAOYSA-N
XLogP1.82
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.29
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-aminophenyl)-4-methyl-N-propylpiperidine-1-sulfonamide
CID 63233770
N-[4-(aminomethyl)phenyl]-N-propylmorpholine-4-sulfonamide
CID 43275774
N-[4-[(3,4-dichloro-1H-indol-7-yl)sulfinamoyl]phenyl]-N-propylpiperazine-1-sulfonamide
CID 164863604
N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpiperazine-1-sulfonamide
CID 61254577
4-bromo-N-methyl-N-(piperazin-1-ylmethyl)aniline
CID 115229855
N-(3-aminophenyl)-N-propylmorpholine-4-sulfonamide
CID 63229912
4-bromo-N-butyl-N-(2-piperazin-1-ylsulfonylethyl)benzenesulfonamide;2,2,2-trifluoroacetic acid
CID 146061770
4-bromo-N,N-dipropylaniline
CID 10445113
4-bromo-N-butyl-N-(4-morpholin-4-ylphenyl)benzenesulfonamide
CID 47075351
N-[2-[ethyl(propyl)amino]ethyl]piperazine-1-sulfonamide
CID 114134192
N-[(4-fluorophenyl)methyl]-N-methylpiperazine-1-sulfonamide
CID 54979213
4-bromo-N-(2-oxo-2-piperazin-1-ylethyl)-N-propan-2-ylbenzenesulfonamide
CID 50788681

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-N-propylpiperazine-1-sulfonamide?
The IUPAC name of N-(4-bromophenyl)-N-propylpiperazine-1-sulfonamide (CID 164863788) is N-(4-bromophenyl)-N-propylpiperazine-1-sulfonamide.
What is the SMILES notation for N-(4-bromophenyl)-N-propylpiperazine-1-sulfonamide?
The canonical SMILES for N-(4-bromophenyl)-N-propylpiperazine-1-sulfonamide is CCCN(c1ccc(Br)cc1)S(=O)(=O)N1CCNCC1.
What is the InChIKey of N-(4-bromophenyl)-N-propylpiperazine-1-sulfonamide?
The InChIKey is UMXALZSMHOFMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3O2S/c1-2-9-17(13-5-3-12(14)4-6-13)20(18,19)16-10-7-15-8-11-16/h3-6,15H,2,7-11H2,1H3.
What are the key properties of N-(4-bromophenyl)-N-propylpiperazine-1-sulfonamide?
N-(4-bromophenyl)-N-propylpiperazine-1-sulfonamide has a molecular weight of 362.29 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-N-propylpiperazine-1-sulfonamide is sourced from PubChem (CID 164863788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).