N-(4-bromophenyl)-4-cyano-N-(thiophen-3-ylmethyl)benzenesulfonamide

C18H13BrN2O2S2 — CID 47063208

IUPACN-(4-bromophenyl)-4-cyano-N-(thiophen-3-ylmethyl)benzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)N(Cc2ccsc2)c2ccc(Br)cc2)cc1
InChIInChI=1S/C18H13BrN2O2S2/c19-16-3-5-17(6-4-16)21(12-15-9-10-24-13-15)25(22,23)18-7-1-14(11-20)2-8-18/h1-10,13H,12H2
InChIKeyOEZFSWGLNIKXHE-UHFFFAOYSA-N
MW433.35 g/mol
LogP4.78
Rot. Bonds5

About N-(4-bromophenyl)-4-cyano-N-(thiophen-3-ylmethyl)benzenesulfonamide

N-(4-bromophenyl)-4-cyano-N-(thiophen-3-ylmethyl)benzenesulfonamide (PubChem CID 47063208) has the molecular formula C18H13BrN2O2S2 and a molecular weight of 433.35 g/mol. Its IUPAC name is N-(4-bromophenyl)-4-cyano-N-(thiophen-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-4-cyano-N-(thiophen-3-ylmethyl)benzenesulfonamide
PubChem CID47063208
Molecular FormulaC18H13BrN2O2S2
Molecular Weight433.35 g/mol
Exact Mass431.96
IUPAC NameN-(4-bromophenyl)-4-cyano-N-(thiophen-3-ylmethyl)benzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)N(Cc2ccsc2)c2ccc(Br)cc2)cc1
InChIInChI=1S/C18H13BrN2O2S2/c19-16-3-5-17(6-4-16)21(12-15-9-10-24-13-15)25(22,23)18-7-1-14(11-20)2-8-18/h1-10,13H,12H2
InChIKeyOEZFSWGLNIKXHE-UHFFFAOYSA-N
XLogP4.78
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.35
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-4-cyano-N-(4-phenoxyphenyl)benzenesulfonamide
CID 132502971
N-[(4-cyanophenyl)methyl]-N-pyridin-4-ylbenzenesulfonamide
CID 4825964
N-(4-cyanophenyl)-N-methyl-2-thiophen-3-ylacetamide
CID 62981534
4-bromo-N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 52634270
N-(4-bromophenyl)-N-[(3-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 46022175
4-[4-(thiophen-3-ylmethyl)piperazin-1-yl]sulfonylbenzonitrile
CID 26545215
N-(4-bromophenyl)-4-fluoro-N-[(3-methoxyphenyl)methyl]benzenesulfonamide
CID 46022176
4-hydroxy-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 43528520
4-[2-[methyl(thiophen-3-ylmethyl)amino]acetyl]benzonitrile
CID 62051809
N-methyl-4-(methylamino)-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 43528516
3-methyl-4-[methyl(thiophen-3-ylmethyl)amino]benzonitrile
CID 54934515
4-cyano-N-(4-ethylphenyl)-N-methylbenzenesulfonamide
CID 62001878

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-4-cyano-N-(thiophen-3-ylmethyl)benzenesulfonamide?
The IUPAC name of N-(4-bromophenyl)-4-cyano-N-(thiophen-3-ylmethyl)benzenesulfonamide (CID 47063208) is N-(4-bromophenyl)-4-cyano-N-(thiophen-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for N-(4-bromophenyl)-4-cyano-N-(thiophen-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for N-(4-bromophenyl)-4-cyano-N-(thiophen-3-ylmethyl)benzenesulfonamide is N#Cc1ccc(S(=O)(=O)N(Cc2ccsc2)c2ccc(Br)cc2)cc1.
What is the InChIKey of N-(4-bromophenyl)-4-cyano-N-(thiophen-3-ylmethyl)benzenesulfonamide?
The InChIKey is OEZFSWGLNIKXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrN2O2S2/c19-16-3-5-17(6-4-16)21(12-15-9-10-24-13-15)25(22,23)18-7-1-14(11-20)2-8-18/h1-10,13H,12H2.
What are the key properties of N-(4-bromophenyl)-4-cyano-N-(thiophen-3-ylmethyl)benzenesulfonamide?
N-(4-bromophenyl)-4-cyano-N-(thiophen-3-ylmethyl)benzenesulfonamide has a molecular weight of 433.35 g/mol, XLogP of 4.78, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-4-cyano-N-(thiophen-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 47063208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).