5-bromo-N-[(R)-(4-methylphenyl)-phenylmethyl]thiophene-2-sulfonamide

C18H16BrNO2S2 — CID 38005000

IUPAC5-bromo-N-[(R)-(4-methylphenyl)-phenylmethyl]thiophene-2-sulfonamide
SMILESCc1ccc([C@H](NS(=O)(=O)c2ccc(Br)s2)c2ccccc2)cc1
InChIInChI=1S/C18H16BrNO2S2/c1-13-7-9-15(10-8-13)18(14-5-3-2-4-6-14)20-24(21,22)17-12-11-16(19)23-17/h2-12,18,20H,1H3/t18-/m1/s1
InChIKeyCPXYRYYGUNKBBM-GOSISDBHSA-N
MW422.37 g/mol
LogP4.89
Rot. Bonds5

About 5-bromo-N-[(R)-(4-methylphenyl)-phenylmethyl]thiophene-2-sulfonamide

5-bromo-N-[(R)-(4-methylphenyl)-phenylmethyl]thiophene-2-sulfonamide (PubChem CID 38005000) has the molecular formula C18H16BrNO2S2 and a molecular weight of 422.37 g/mol. Its IUPAC name is 5-bromo-N-[(R)-(4-methylphenyl)-phenylmethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[(R)-(4-methylphenyl)-phenylmethyl]thiophene-2-sulfonamide
PubChem CID38005000
Molecular FormulaC18H16BrNO2S2
Molecular Weight422.37 g/mol
Exact Mass420.98
IUPAC Name5-bromo-N-[(R)-(4-methylphenyl)-phenylmethyl]thiophene-2-sulfonamide
SMILESCc1ccc([C@H](NS(=O)(=O)c2ccc(Br)s2)c2ccccc2)cc1
InChIInChI=1S/C18H16BrNO2S2/c1-13-7-9-15(10-8-13)18(14-5-3-2-4-6-14)20-24(21,22)17-12-11-16(19)23-17/h2-12,18,20H,1H3/t18-/m1/s1
InChIKeyCPXYRYYGUNKBBM-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

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Related Compounds

5-bromo-N-[(R)-(2-methylphenyl)-phenylmethyl]thiophene-2-sulfonamide
CID 93486397
methyl 2-[(5-bromothiophen-2-yl)sulfonylamino]-2-phenylacetate
CID 3675533
4-methyl-N-[(4-methylphenyl)-(4-phenylphenyl)methyl]benzenesulfonamide
CID 134927453
4-methyl-N-[(R)-(4-methylphenyl)-(4-phenylphenyl)methyl]benzenesulfonamide
CID 102072204
N-[(S)-(3-bromophenyl)-phenylmethyl]-4-methylbenzenesulfonamide
CID 102281478
N-[1-(4-aminophenyl)ethyl]-5-bromothiophene-2-sulfonamide
CID 43297909
5-bromo-N-[1-(4-chlorophenyl)-2-methylpropyl]thiophene-2-sulfonamide
CID 60709157
N-[(4-chlorophenyl)-(4-methylphenyl)methyl]-5-propylthiophene-2-sulfonamide
CID 166322907
N-[1-(3-aminophenyl)ethyl]-5-bromothiophene-2-sulfonamide
CID 43297962
5-bromo-N-[(2R)-butan-2-yl]thiophene-2-sulfonamide
CID 848230
(2R)-2-[(5-bromothiophen-2-yl)sulfonylamino]-2-(2-chlorophenyl)acetic acid
CID 107314957
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)-(4-methylphenyl)-phenylmethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-[(R)-(4-methylphenyl)-phenylmethyl]thiophene-2-sulfonamide (CID 38005000) is 5-bromo-N-[(R)-(4-methylphenyl)-phenylmethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-[(R)-(4-methylphenyl)-phenylmethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-[(R)-(4-methylphenyl)-phenylmethyl]thiophene-2-sulfonamide is Cc1ccc([C@H](NS(=O)(=O)c2ccc(Br)s2)c2ccccc2)cc1.
What is the InChIKey of 5-bromo-N-[(R)-(4-methylphenyl)-phenylmethyl]thiophene-2-sulfonamide?
The InChIKey is CPXYRYYGUNKBBM-GOSISDBHSA-N. The full InChI is InChI=1S/C18H16BrNO2S2/c1-13-7-9-15(10-8-13)18(14-5-3-2-4-6-14)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)-(4-methylphenyl)-phenylmethyl]thiophene-2-sulfonamide?
5-bromo-N-[(R)-(4-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)-(4-methylphenyl)-phenylmethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 38005000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).