4-bromo-N-[(4-bromothiophen-2-yl)methyl]-3-fluoro-N-methylbenzenesulfonamide

C12H10Br2FNO2S2 — CID 103697383

IUPAC4-bromo-N-[(4-bromothiophen-2-yl)methyl]-3-fluoro-N-methylbenzenesulfonamide
SMILESCN(Cc1cc(Br)cs1)S(=O)(=O)c1ccc(Br)c(F)c1
InChIInChI=1S/C12H10Br2FNO2S2/c1-16(6-9-4-8(13)7-19-9)20(17,18)10-2-3-11(14)12(15)5-10/h2-5,7H,6H2,1H3
InChIKeyRPZNUIZXCHVOLW-UHFFFAOYSA-N
MW443.16 g/mol
LogP4.23
Rot. Bonds4

About 4-bromo-N-[(4-bromothiophen-2-yl)methyl]-3-fluoro-N-methylbenzenesulfonamide

4-bromo-N-[(4-bromothiophen-2-yl)methyl]-3-fluoro-N-methylbenzenesulfonamide (PubChem CID 103697383) has the molecular formula C12H10Br2FNO2S2 and a molecular weight of 443.16 g/mol. Its IUPAC name is 4-bromo-N-[(4-bromothiophen-2-yl)methyl]-3-fluoro-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[(4-bromothiophen-2-yl)methyl]-3-fluoro-N-methylbenzenesulfonamide
PubChem CID103697383
Molecular FormulaC12H10Br2FNO2S2
Molecular Weight443.16 g/mol
Exact Mass440.85
IUPAC Name4-bromo-N-[(4-bromothiophen-2-yl)methyl]-3-fluoro-N-methylbenzenesulfonamide
SMILESCN(Cc1cc(Br)cs1)S(=O)(=O)c1ccc(Br)c(F)c1
InChIInChI=1S/C12H10Br2FNO2S2/c1-16(6-9-4-8(13)7-19-9)20(17,18)10-2-3-11(14)12(15)5-10/h2-5,7H,6H2,1H3
InChIKeyRPZNUIZXCHVOLW-UHFFFAOYSA-N
XLogP4.23
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.16
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[(4-bromothiophen-2-yl)methyl]-N,3-dimethylbenzenesulfonamide
CID 63420380
4-bromo-3-fluoro-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 113242535
4-bromo-N-[(4-bromophenyl)methyl]-3-fluoro-N-methylbenzenesulfonamide
CID 103697185
N-[(4-bromothiophen-2-yl)methyl]-3,4-dichloro-N-methylbenzenesulfonamide
CID 61073955
4-bromo-3-fluoro-N-[(4-hydroxyphenyl)methyl]-N-methylbenzenesulfonamide
CID 103834156
4-bromo-3-fluoro-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 103697188
4-bromo-3-fluoro-N-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 103697508
4-bromo-3-fluoro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
CID 103833706
4-bromo-N-[(2-chlorophenyl)methyl]-3-fluoro-N-methylbenzenesulfonamide
CID 103697187
N-(3-aminopropyl)-4-bromo-3-fluoro-N-methylbenzenesulfonamide
CID 103829034
5-amino-N-[(4-bromothiophen-2-yl)methyl]-3-fluoro-N,2-dimethylbenzenesulfonamide
CID 79899809
4-bromo-N-(cyclopropylmethyl)-3-fluoro-N-methylbenzenesulfonamide
CID 103697406

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(4-bromothiophen-2-yl)methyl]-3-fluoro-N-methylbenzenesulfonamide?
The IUPAC name of 4-bromo-N-[(4-bromothiophen-2-yl)methyl]-3-fluoro-N-methylbenzenesulfonamide (CID 103697383) is 4-bromo-N-[(4-bromothiophen-2-yl)methyl]-3-fluoro-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[(4-bromothiophen-2-yl)methyl]-3-fluoro-N-methylbenzenesulfonamide?
The canonical SMILES for 4-bromo-N-[(4-bromothiophen-2-yl)methyl]-3-fluoro-N-methylbenzenesulfonamide is CN(Cc1cc(Br)cs1)S(=O)(=O)c1ccc(Br)c(F)c1.
What is the InChIKey of 4-bromo-N-[(4-bromothiophen-2-yl)methyl]-3-fluoro-N-methylbenzenesulfonamide?
The InChIKey is RPZNUIZXCHVOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Br2FNO2S2/c1-16(6-9-4-8(13)7-19-9)20(17,18)10-2-3-11(14)12(15)5-10/h2-5,7H,6H2,1H3.
What are the key properties of 4-bromo-N-[(4-bromothiophen-2-yl)methyl]-3-fluoro-N-methylbenzenesulfonamide?
4-bromo-N-[(4-bromothiophen-2-yl)methyl]-3-fluoro-N-methylbenzenesulfonamide has a molecular weight of 443.16 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(4-bromothiophen-2-yl)methyl]-3-fluoro-N-methylbenzenesulfonamide is sourced from PubChem (CID 103697383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).