methyl N-[4-[(4-hydroxyphenyl)sulfamoyl]phenyl]carbamate

C14H14N2O5S — CID 836309

IUPACmethyl N-[4-[(4-hydroxyphenyl)sulfamoyl]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(O)cc2)cc1
InChIInChI=1S/C14H14N2O5S/c1-21-14(18)15-10-4-8-13(9-5-10)22(19,20)16-11-2-6-12(17)7-3-11/h2-9,16-17H,1H3,(H,15,18)
InChIKeyGOYWUZJPYLTVRJ-UHFFFAOYSA-N
MW322.34 g/mol
LogP2.37
Rot. Bonds4

About methyl N-[4-[(4-hydroxyphenyl)sulfamoyl]phenyl]carbamate

methyl N-[4-[(4-hydroxyphenyl)sulfamoyl]phenyl]carbamate (PubChem CID 836309) has the molecular formula C14H14N2O5S and a molecular weight of 322.34 g/mol. Its IUPAC name is methyl N-[4-[(4-hydroxyphenyl)sulfamoyl]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[(4-hydroxyphenyl)sulfamoyl]phenyl]carbamate
PubChem CID836309
Molecular FormulaC14H14N2O5S
Molecular Weight322.34 g/mol
Exact Mass322.06
IUPAC Namemethyl N-[4-[(4-hydroxyphenyl)sulfamoyl]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(O)cc2)cc1
InChIInChI=1S/C14H14N2O5S/c1-21-14(18)15-10-4-8-13(9-5-10)22(19,20)16-11-2-6-12(17)7-3-11/h2-9,16-17H,1H3,(H,15,18)
InChIKeyGOYWUZJPYLTVRJ-UHFFFAOYSA-N
XLogP2.37
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_B(41)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-{4-[(4-hydroxyphenyl)(methyl)sulfamoyl]phenyl}acetamide
CID 2998367
N4-Acetyl-N1-(4-methoxyphenyl)sulfanilamide
CID 289430
phenyl N-(4-sulfamoylphenyl)carbamate
CID 15708417
1-(4-Hydroxyphenyl)-3-(4-methylphenyl)sulfonylurea
CID 5268819
Benzenesulfonic acid, 4-(acetylamino)-, phenyl ester
CID 98594
Ethanediamide, N-(4-hydroxyphenyl)-N'-(phenylsulfonyl)-
CID 3022154
Ethanediamide, N-(4-hydroxyphenyl)-N'-((4-methoxyphenyl)sulfonyl)-
CID 3022155
Ethanediamide, N-(4-hydroxyphenyl)-N'-((4-hydroxyphenyl)sulfonyl)-
CID 3022156
N-[4-oxo-3-[2-(4-sulfamoylphenyl)hydrazinyl]cyclohexa-2,5-dien-1-ylidene]acetamide
CID 224297
N-(3,5-Difluoro-4-hydroxyphenyl)-4-(3-ethylureido)benzenesulfonamide
CID 49837279
methyl (4-(N-(4-hydroxy-3,5-diisopropylphenyl)sulfamoyl)phenyl)carbamate
CID 1325400
N-(4-Hydroxyphenyl)-N-methylbenzenesulfonamide
CID 2321747

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[(4-hydroxyphenyl)sulfamoyl]phenyl]carbamate?
The IUPAC name of methyl N-[4-[(4-hydroxyphenyl)sulfamoyl]phenyl]carbamate (CID 836309) is methyl N-[4-[(4-hydroxyphenyl)sulfamoyl]phenyl]carbamate.
What is the SMILES notation for methyl N-[4-[(4-hydroxyphenyl)sulfamoyl]phenyl]carbamate?
The canonical SMILES for methyl N-[4-[(4-hydroxyphenyl)sulfamoyl]phenyl]carbamate is COC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(O)cc2)cc1.
What is the InChIKey of methyl N-[4-[(4-hydroxyphenyl)sulfamoyl]phenyl]carbamate?
The InChIKey is GOYWUZJPYLTVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O5S/c1-21-14(18)15-10-4-8-13(9-5-10)22(19,20)16-11-2-6-12(17)7-3-11/h2-9,16-17H,1H3,(H,15,18).
What are the key properties of methyl N-[4-[(4-hydroxyphenyl)sulfamoyl]phenyl]carbamate?
methyl N-[4-[(4-hydroxyphenyl)sulfamoyl]phenyl]carbamate has a molecular weight of 322.34 g/mol, XLogP of 2.37, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[(4-hydroxyphenyl)sulfamoyl]phenyl]carbamate is sourced from PubChem (CID 836309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).