4-bromo-N-[2-(2,5-dimethyl-1H-pyrrol-3-yl)ethyl]benzenesulfonamide

C14H17BrN2O2S — CID 110641583

IUPAC4-bromo-N-[2-(2,5-dimethyl-1H-pyrrol-3-yl)ethyl]benzenesulfonamide
SMILESCc1cc(CCNS(=O)(=O)c2ccc(Br)cc2)c(C)[nH]1
InChIInChI=1S/C14H17BrN2O2S/c1-10-9-12(11(2)17-10)7-8-16-20(18,19)14-5-3-13(15)4-6-14/h3-6,9,16-17H,7-8H2,1-2H3
InChIKeyFELSEAJURLYKDZ-UHFFFAOYSA-N
MW357.27 g/mol
LogP2.92
Rot. Bonds5

About 4-bromo-N-[2-(2,5-dimethyl-1H-pyrrol-3-yl)ethyl]benzenesulfonamide

4-bromo-N-[2-(2,5-dimethyl-1H-pyrrol-3-yl)ethyl]benzenesulfonamide (PubChem CID 110641583) has the molecular formula C14H17BrN2O2S and a molecular weight of 357.27 g/mol. Its IUPAC name is 4-bromo-N-[2-(2,5-dimethyl-1H-pyrrol-3-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[2-(2,5-dimethyl-1H-pyrrol-3-yl)ethyl]benzenesulfonamide
PubChem CID110641583
Molecular FormulaC14H17BrN2O2S
Molecular Weight357.27 g/mol
Exact Mass356.02
IUPAC Name4-bromo-N-[2-(2,5-dimethyl-1H-pyrrol-3-yl)ethyl]benzenesulfonamide
SMILESCc1cc(CCNS(=O)(=O)c2ccc(Br)cc2)c(C)[nH]1
InChIInChI=1S/C14H17BrN2O2S/c1-10-9-12(11(2)17-10)7-8-16-20(18,19)14-5-3-13(15)4-6-14/h3-6,9,16-17H,7-8H2,1-2H3
InChIKeyFELSEAJURLYKDZ-UHFFFAOYSA-N
XLogP2.92
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.27
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2,5-dimethyl-1H-pyrrol-3-yl)ethyl]-1,3-benzodioxole-5-sulfonamide
CID 110415763
N-[2-(2,5-dimethyl-1H-pyrrol-3-yl)ethyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 110641628
N-[2-(2,5-dimethyl-1H-pyrrol-3-yl)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110641619
4-bromo-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]benzenesulfonamide
CID 4068078
N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide
CID 31836630
N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]benzenesulfonamide
CID 110416248
4-bromo-N-[2-(2-hydroxyphenyl)ethyl]benzenesulfonamide
CID 110605294
N-[2-(5-bromo-2-methyl-1H-indol-3-yl)ethyl]-4-tert-butylbenzenesulfonamide
CID 1260202
4-bromo-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 9300920
4-bromo-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide
CID 1320970
N-[2-(5-bromo-2-methyl-1H-indol-3-yl)ethyl]-4-chlorobenzenesulfonamide
CID 122655775
4-bromo-N-[8-[(4-bromophenyl)sulfonylamino]octyl]benzenesulfonamide
CID 3544635

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(2,5-dimethyl-1H-pyrrol-3-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-bromo-N-[2-(2,5-dimethyl-1H-pyrrol-3-yl)ethyl]benzenesulfonamide (CID 110641583) is 4-bromo-N-[2-(2,5-dimethyl-1H-pyrrol-3-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[2-(2,5-dimethyl-1H-pyrrol-3-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-bromo-N-[2-(2,5-dimethyl-1H-pyrrol-3-yl)ethyl]benzenesulfonamide is Cc1cc(CCNS(=O)(=O)c2ccc(Br)cc2)c(C)[nH]1.
What is the InChIKey of 4-bromo-N-[2-(2,5-dimethyl-1H-pyrrol-3-yl)ethyl]benzenesulfonamide?
The InChIKey is FELSEAJURLYKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O2S/c1-10-9-12(11(2)17-10)7-8-16-20(18,19)14-5-3-13(15)4-6-14/h3-6,9,16-17H,7-8H2,1-2H3.
What are the key properties of 4-bromo-N-[2-(2,5-dimethyl-1H-pyrrol-3-yl)ethyl]benzenesulfonamide?
4-bromo-N-[2-(2,5-dimethyl-1H-pyrrol-3-yl)ethyl]benzenesulfonamide has a molecular weight of 357.27 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-(2,5-dimethyl-1H-pyrrol-3-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 110641583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).