4-(methanesulfonamido)-3-phenylmethoxybenzoic acid

C15H15NO5S — CID 166479657

IUPAC4-(methanesulfonamido)-3-phenylmethoxybenzoic acid
SMILESCS(=O)(=O)Nc1ccc(C(=O)O)cc1OCc1ccccc1
InChIInChI=1S/C15H15NO5S/c1-22(19,20)16-13-8-7-12(15(17)18)9-14(13)21-10-11-5-3-2-4-6-11/h2-9,16H,10H2,1H3,(H,17,18)
InChIKeyPSHPQSWKEOZJLQ-UHFFFAOYSA-N
MW321.35 g/mol
LogP2.34
Rot. Bonds6

About 4-(methanesulfonamido)-3-phenylmethoxybenzoic acid

4-(methanesulfonamido)-3-phenylmethoxybenzoic acid (PubChem CID 166479657) has the molecular formula C15H15NO5S and a molecular weight of 321.35 g/mol. Its IUPAC name is 4-(methanesulfonamido)-3-phenylmethoxybenzoic acid.

Molecular Properties

Compound Name4-(methanesulfonamido)-3-phenylmethoxybenzoic acid
PubChem CID166479657
Molecular FormulaC15H15NO5S
Molecular Weight321.35 g/mol
Exact Mass321.07
IUPAC Name4-(methanesulfonamido)-3-phenylmethoxybenzoic acid
SMILESCS(=O)(=O)Nc1ccc(C(=O)O)cc1OCc1ccccc1
InChIInChI=1S/C15H15NO5S/c1-22(19,20)16-13-8-7-12(15(17)18)9-14(13)21-10-11-5-3-2-4-6-11/h2-9,16H,10H2,1H3,(H,17,18)
InChIKeyPSHPQSWKEOZJLQ-UHFFFAOYSA-N
XLogP2.34
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-anilino-3-phenylmethoxybenzoic acid
CID 123431173
N-[2,5-bis(phenylmethoxy)phenyl]methanesulfonamide
CID 70516197
N-[5-[2-[benzyl-[4-[benzyl-[2-[3-(methanesulfonamido)-4-phenylmethoxyphenyl]-2-oxoethyl]amino]butyl]amino]acetyl]-2-phenylmethoxyphenyl]methanesulfonamide
CID 21438084
3-methyl-4-phenylmethoxybenzoic acid
CID 53471145
N-(5-formyl-2-phenylmethoxyphenyl)methanesulfonamide
CID 82096959
N-[5-(chloromethyl)-4-methoxy-2-phenylmethoxyphenyl]methanesulfonamide
CID 141223265
N-(4-acetyl-2-phenoxy-5-phenylmethoxyphenyl)methanesulfonamide
CID 10549566
3-(methanesulfonamido)-4-propoxybenzoic acid
CID 110504278
N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-4-fluoro-3-phenylmethoxybenzamide
CID 67491415
3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylmethoxybenzoic acid
CID 54328163
3-(hydroxymethyl)-4-phenylmethoxybenzoic acid
CID 90442233
3-chloro-4-phenylmethoxybenzoic acid;hydrochloride
CID 67898851

Frequently Asked Questions

What is the IUPAC name of 4-(methanesulfonamido)-3-phenylmethoxybenzoic acid?
The IUPAC name of 4-(methanesulfonamido)-3-phenylmethoxybenzoic acid (CID 166479657) is 4-(methanesulfonamido)-3-phenylmethoxybenzoic acid.
What is the SMILES notation for 4-(methanesulfonamido)-3-phenylmethoxybenzoic acid?
The canonical SMILES for 4-(methanesulfonamido)-3-phenylmethoxybenzoic acid is CS(=O)(=O)Nc1ccc(C(=O)O)cc1OCc1ccccc1.
What is the InChIKey of 4-(methanesulfonamido)-3-phenylmethoxybenzoic acid?
The InChIKey is PSHPQSWKEOZJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO5S/c1-22(19,20)16-13-8-7-12(15(17)18)9-14(13)21-10-11-5-3-2-4-6-11/h2-9,16H,10H2,1H3,(H,17,18).
What are the key properties of 4-(methanesulfonamido)-3-phenylmethoxybenzoic acid?
4-(methanesulfonamido)-3-phenylmethoxybenzoic acid has a molecular weight of 321.35 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methanesulfonamido)-3-phenylmethoxybenzoic acid is sourced from PubChem (CID 166479657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).