4-bromo-N-(4-phenylmethoxyphenyl)benzenesulfonamide

C19H16BrNO3S — CID 3334756

IUPAC4-bromo-N-(4-phenylmethoxyphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(OCc2ccccc2)cc1)c1ccc(Br)cc1
InChIInChI=1S/C19H16BrNO3S/c20-16-6-12-19(13-7-16)25(22,23)21-17-8-10-18(11-9-17)24-14-15-4-2-1-3-5-15/h1-13,21H,14H2
InChIKeyZZVNUGFSVSEWAP-UHFFFAOYSA-N
MW418.31 g/mol
LogP4.83
Rot. Bonds6

About 4-bromo-N-(4-phenylmethoxyphenyl)benzenesulfonamide

4-bromo-N-(4-phenylmethoxyphenyl)benzenesulfonamide (PubChem CID 3334756) has the molecular formula C19H16BrNO3S and a molecular weight of 418.31 g/mol. Its IUPAC name is 4-bromo-N-(4-phenylmethoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(4-phenylmethoxyphenyl)benzenesulfonamide
PubChem CID3334756
Molecular FormulaC19H16BrNO3S
Molecular Weight418.31 g/mol
Exact Mass417.00
IUPAC Name4-bromo-N-(4-phenylmethoxyphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(OCc2ccccc2)cc1)c1ccc(Br)cc1
InChIInChI=1S/C19H16BrNO3S/c20-16-6-12-19(13-7-16)25(22,23)21-17-8-10-18(11-9-17)24-14-15-4-2-1-3-5-15/h1-13,21H,14H2
InChIKeyZZVNUGFSVSEWAP-UHFFFAOYSA-N
XLogP4.83
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.31
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-phenylmethoxyphenyl)-4-(trifluoromethyl)benzenesulfonamide
CID 166627714
4-nitro-N-(4-phenylmethoxyphenyl)benzenesulfonamide
CID 1379163
6-chloro-N-(4-phenylmethoxyphenyl)pyridine-3-sulfonamide
CID 26951357
(E)-3-[4-[(4-phenylmethoxyphenyl)sulfamoyl]phenyl]prop-2-enoic acid
CID 2554303
3-nitro-N-(4-phenylmethoxyphenyl)benzenesulfonamide
CID 2887128
2-chloro-N-(4-phenylmethoxyphenyl)benzenesulfonamide
CID 45369229
N-[4-(3-phenylmethoxyphenyl)phenyl]benzenesulfonamide
CID 70194773
methyl (2R)-2-[(4-bromophenyl)sulfonylamino]-2-(4-phenylmethoxyphenyl)acetate
CID 154634382
4-methyl-N-[4-(3-phenylmethoxyphenyl)phenyl]benzenesulfonamide
CID 169372382
4-bromo-N-phenylmethoxybenzenesulfonamide
CID 45378388
4-bromo-N-[4-(bromomethyl)phenyl]benzenesulfonamide
CID 113271541
4-(bromomethyl)-N-(4-bromophenyl)benzenesulfonamide
CID 65480206

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-phenylmethoxyphenyl)benzenesulfonamide?
The IUPAC name of 4-bromo-N-(4-phenylmethoxyphenyl)benzenesulfonamide (CID 3334756) is 4-bromo-N-(4-phenylmethoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(4-phenylmethoxyphenyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-N-(4-phenylmethoxyphenyl)benzenesulfonamide is O=S(=O)(Nc1ccc(OCc2ccccc2)cc1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(4-phenylmethoxyphenyl)benzenesulfonamide?
The InChIKey is ZZVNUGFSVSEWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrNO3S/c20-16-6-12-19(13-7-16)25(22,23)21-17-8-10-18(11-9-17)24-14-15-4-2-1-3-5-15/h1-13,21H,14H2.
What are the key properties of 4-bromo-N-(4-phenylmethoxyphenyl)benzenesulfonamide?
4-bromo-N-(4-phenylmethoxyphenyl)benzenesulfonamide has a molecular weight of 418.31 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4-phenylmethoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 3334756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).