[4-[[6-[(4-methylphenyl)sulfonylamino]-3-pyridinyl]oxy]phenyl]carbamic acid

C19H17N3O5S — CID 68999729

IUPAC[4-[[6-[(4-methylphenyl)sulfonylamino]-3-pyridinyl]oxy]phenyl]carbamic acid
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Oc3ccc(NC(=O)O)cc3)cn2)cc1
InChIInChI=1S/C19H17N3O5S/c1-13-2-9-17(10-3-13)28(25,26)22-18-11-8-16(12-20-18)27-15-6-4-14(5-7-15)21-19(23)24/h2-12,21H,1H3,(H,20,22)(H,23,24)
InChIKeyMZPSNFBJFXFMMT-UHFFFAOYSA-N
MW399.43 g/mol
LogP4.07
Rot. Bonds6

About [4-[[6-[(4-methylphenyl)sulfonylamino]-3-pyridinyl]oxy]phenyl]carbamic acid

[4-[[6-[(4-methylphenyl)sulfonylamino]-3-pyridinyl]oxy]phenyl]carbamic acid (PubChem CID 68999729) has the molecular formula C19H17N3O5S and a molecular weight of 399.43 g/mol. Its IUPAC name is [4-[[6-[(4-methylphenyl)sulfonylamino]-3-pyridinyl]oxy]phenyl]carbamic acid.

Molecular Properties

Compound Name[4-[[6-[(4-methylphenyl)sulfonylamino]-3-pyridinyl]oxy]phenyl]carbamic acid
PubChem CID68999729
Molecular FormulaC19H17N3O5S
Molecular Weight399.43 g/mol
Exact Mass399.09
IUPAC Name[4-[[6-[(4-methylphenyl)sulfonylamino]-3-pyridinyl]oxy]phenyl]carbamic acid
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Oc3ccc(NC(=O)O)cc3)cn2)cc1
InChIInChI=1S/C19H17N3O5S/c1-13-2-9-17(10-3-13)28(25,26)22-18-11-8-16(12-20-18)27-15-6-4-14(5-7-15)21-19(23)24/h2-12,21H,1H3,(H,20,22)(H,23,24)
InChIKeyMZPSNFBJFXFMMT-UHFFFAOYSA-N
XLogP4.07
TPSA117.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.43
LogP ≤ 54.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-acetyl-2-pyridinyl)-4-methylbenzenesulfonamide
CID 100923791
N-[4-[(5-amino-2-pyridinyl)sulfamoyl]phenyl]acetamide
CID 43328729
N-(5-bromo-2-pyridinyl)-4-methylbenzenesulfonamide
CID 673877
(E)-3-[6-[(4-methylphenyl)sulfonylamino]-3-pyridinyl]prop-2-enoic acid
CID 22986806
N-[5-(hydroxymethyl)-2-pyridinyl]-4-methylbenzenesulfonamide
CID 82343399
N-[4-[(4-pyridin-3-yloxyphenyl)sulfamoyl]phenyl]acetamide
CID 1332367
4-[(4-ethoxyphenyl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide
CID 18106832
N-(5-isocyano-2-pyridinyl)-4-methylbenzenesulfonamide
CID 156676151
2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanyl-N-(4-phenoxyphenyl)propanamide
CID 21167345
N-[4-[4-[(3-methylphenyl)sulfamoyl]phenoxy]phenyl]acetamide
CID 20705319
N-[5-[4-(dimethylamino)anilino]-2-pyridinyl]-4-methylbenzenesulfonamide
CID 113035556
4-bromo-N-(5-methyl-2-pyridinyl)benzenesulfonamide
CID 669661

Frequently Asked Questions

What is the IUPAC name of [4-[[6-[(4-methylphenyl)sulfonylamino]-3-pyridinyl]oxy]phenyl]carbamic acid?
The IUPAC name of [4-[[6-[(4-methylphenyl)sulfonylamino]-3-pyridinyl]oxy]phenyl]carbamic acid (CID 68999729) is [4-[[6-[(4-methylphenyl)sulfonylamino]-3-pyridinyl]oxy]phenyl]carbamic acid.
What is the SMILES notation for [4-[[6-[(4-methylphenyl)sulfonylamino]-3-pyridinyl]oxy]phenyl]carbamic acid?
The canonical SMILES for [4-[[6-[(4-methylphenyl)sulfonylamino]-3-pyridinyl]oxy]phenyl]carbamic acid is Cc1ccc(S(=O)(=O)Nc2ccc(Oc3ccc(NC(=O)O)cc3)cn2)cc1.
What is the InChIKey of [4-[[6-[(4-methylphenyl)sulfonylamino]-3-pyridinyl]oxy]phenyl]carbamic acid?
The InChIKey is MZPSNFBJFXFMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O5S/c1-13-2-9-17(10-3-13)28(25,26)22-18-11-8-16(12-20-18)27-15-6-4-14(5-7-15)21-19(23)24/h2-12,21H,1H3,(H,20,22)(H,23,24).
What are the key properties of [4-[[6-[(4-methylphenyl)sulfonylamino]-3-pyridinyl]oxy]phenyl]carbamic acid?
[4-[[6-[(4-methylphenyl)sulfonylamino]-3-pyridinyl]oxy]phenyl]carbamic acid has a molecular weight of 399.43 g/mol, XLogP of 4.07, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[6-[(4-methylphenyl)sulfonylamino]-3-pyridinyl]oxy]phenyl]carbamic acid is sourced from PubChem (CID 68999729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).