5-bromo-N-[(R)-(2-methylphenyl)-phenylmethyl]thiophene-2-sulfonamide

C18H16BrNO2S2 — CID 93486397

IUPAC5-bromo-N-[(R)-(2-methylphenyl)-phenylmethyl]thiophene-2-sulfonamide
SMILESCc1ccccc1[C@H](NS(=O)(=O)c1ccc(Br)s1)c1ccccc1
InChIInChI=1S/C18H16BrNO2S2/c1-13-7-5-6-10-15(13)18(14-8-3-2-4-9-14)20-24(21,22)17-12-11-16(19)23-17/h2-12,18,20H,1H3/t18-/m1/s1
InChIKeyFPYPLFCLHWKUGP-GOSISDBHSA-N
MW422.37 g/mol
LogP4.89
Rot. Bonds5

About 5-bromo-N-[(R)-(2-methylphenyl)-phenylmethyl]thiophene-2-sulfonamide

5-bromo-N-[(R)-(2-methylphenyl)-phenylmethyl]thiophene-2-sulfonamide (PubChem CID 93486397) has the molecular formula C18H16BrNO2S2 and a molecular weight of 422.37 g/mol. Its IUPAC name is 5-bromo-N-[(R)-(2-methylphenyl)-phenylmethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[(R)-(2-methylphenyl)-phenylmethyl]thiophene-2-sulfonamide
PubChem CID93486397
Molecular FormulaC18H16BrNO2S2
Molecular Weight422.37 g/mol
Exact Mass420.98
IUPAC Name5-bromo-N-[(R)-(2-methylphenyl)-phenylmethyl]thiophene-2-sulfonamide
SMILESCc1ccccc1[C@H](NS(=O)(=O)c1ccc(Br)s1)c1ccccc1
InChIInChI=1S/C18H16BrNO2S2/c1-13-7-5-6-10-15(13)18(14-8-3-2-4-9-14)20-24(21,22)17-12-11-16(19)23-17/h2-12,18,20H,1H3/t18-/m1/s1
InChIKeyFPYPLFCLHWKUGP-GOSISDBHSA-N
XLogP4.89
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.37
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-bromo-N-[(R)-(2-methylphenyl)-phenylmethyl]thiophene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-N-[(R)-(4-methylphenyl)-phenylmethyl]thiophene-2-sulfonamide
CID 38005000
methyl 2-[(5-bromothiophen-2-yl)sulfonylamino]-2-phenylacetate
CID 3675533
(2R)-2-[(5-bromothiophen-2-yl)sulfonylamino]-2-(2-chlorophenyl)acetic acid
CID 107314957
2,5-dichloro-N-[(R)-(2-methylphenyl)-phenylmethyl]benzenesulfonamide
CID 92646276
N-[4-[[(R)-(2-methylphenyl)-phenylmethyl]sulfamoyl]phenyl]acetamide
CID 94027039
5-bromo-4-chloro-N-[1-(2-methylphenyl)ethyl]thiophene-2-sulfonamide
CID 80578485
methyl 3-[[(2-methylphenyl)-phenylmethyl]sulfamoyl]benzoate
CID 133228972
4-methoxy-2,3-dimethyl-N-[(R)-(2-methylphenyl)-phenylmethyl]benzenesulfonamide
CID 100587778
methyl 2-chloro-5-[[(R)-(2-methylphenyl)-phenylmethyl]sulfamoyl]benzoate
CID 100657490
N-[1-(3-aminophenyl)ethyl]-5-bromothiophene-2-sulfonamide
CID 43297962
5-bromo-N-[(2R)-butan-2-yl]thiophene-2-sulfonamide
CID 848230
5-methyl-N-[(S)-phenyl(pyridin-2-yl)methyl]thiophene-2-sulfonamide
CID 39794094

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(R)-(2-methylphenyl)-phenylmethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-[(R)-(2-methylphenyl)-phenylmethyl]thiophene-2-sulfonamide (CID 93486397) is 5-bromo-N-[(R)-(2-methylphenyl)-phenylmethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-[(R)-(2-methylphenyl)-phenylmethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-[(R)-(2-methylphenyl)-phenylmethyl]thiophene-2-sulfonamide is Cc1ccccc1[C@H](NS(=O)(=O)c1ccc(Br)s1)c1ccccc1.
What is the InChIKey of 5-bromo-N-[(R)-(2-methylphenyl)-phenylmethyl]thiophene-2-sulfonamide?
The InChIKey is FPYPLFCLHWKUGP-GOSISDBHSA-N. The full InChI is InChI=1S/C18H16BrNO2S2/c1-13-7-5-6-10-15(13)18(14-8-3-2-4-9-14)20-24(21,22)17-12-11-16(19)23-17/h2-12,18,20H,1H3/t18-/m1/s1.
What are the key properties of 5-bromo-N-[(R)-(2-methylphenyl)-phenylmethyl]thiophene-2-sulfonamide?
5-bromo-N-[(R)-(2-methylphenyl)-phenylmethyl]thiophene-2-sulfonamide has a molecular weight of 422.37 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(R)-(2-methylphenyl)-phenylmethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 93486397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).