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

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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).