[4-[(4-methoxy-2-methylphenyl)sulfonylamino]phenyl]urea

C15H17N3O4S — CID 47062796

IUPAC[4-[(4-methoxy-2-methylphenyl)sulfonylamino]phenyl]urea
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(NC(N)=O)cc2)c(C)c1
InChIInChI=1S/C15H17N3O4S/c1-10-9-13(22-2)7-8-14(10)23(20,21)18-12-5-3-11(4-6-12)17-15(16)19/h3-9,18H,1-2H3,(H3,16,17,19)
InChIKeyYONBZDWKISKKPO-UHFFFAOYSA-N
MW335.39 g/mol
LogP2.30
Rot. Bonds5

About [4-[(4-methoxy-2-methylphenyl)sulfonylamino]phenyl]urea

[4-[(4-methoxy-2-methylphenyl)sulfonylamino]phenyl]urea (PubChem CID 47062796) has the molecular formula C15H17N3O4S and a molecular weight of 335.39 g/mol. Its IUPAC name is [4-[(4-methoxy-2-methylphenyl)sulfonylamino]phenyl]urea.

Molecular Properties

Compound Name[4-[(4-methoxy-2-methylphenyl)sulfonylamino]phenyl]urea
PubChem CID47062796
Molecular FormulaC15H17N3O4S
Molecular Weight335.39 g/mol
Exact Mass335.09
IUPAC Name[4-[(4-methoxy-2-methylphenyl)sulfonylamino]phenyl]urea
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(NC(N)=O)cc2)c(C)c1
InChIInChI=1S/C15H17N3O4S/c1-10-9-13(22-2)7-8-14(10)23(20,21)18-12-5-3-11(4-6-12)17-15(16)19/h3-9,18H,1-2H3,(H3,16,17,19)
InChIKeyYONBZDWKISKKPO-UHFFFAOYSA-N
XLogP2.30
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-methoxy-2-methylphenyl)sulfonylamino]benzamide
CID 87026601
N-(3-amino-4-methylphenyl)-4-methoxy-2-methylbenzenesulfonamide
CID 39439925
4-methoxy-N-(4-methoxy-3-methylphenyl)-2-methylbenzenesulfonamide
CID 110776438
N-[4-(butylamino)phenyl]-4-methoxy-2-methylbenzenesulfonamide
CID 112980291
N-[4-[(2,4-dimethoxyphenyl)sulfonylamino]phenyl]acetamide
CID 22774828
4-methoxy-2-methyl-N-quinoxalin-6-ylbenzenesulfonamide
CID 110723752
N-(4-tert-butylphenyl)-2-[(4-methoxy-2-methylphenyl)sulfonylamino]acetamide
CID 112997613
ethyl N-[4-[(2,4-dimethylphenyl)sulfonylamino]phenyl]carbamate
CID 60534888
N-(3,4-dimethylphenyl)-2,4-dimethoxybenzenesulfonamide
CID 19683549
5-amino-4-bromo-N-(4-methoxyphenyl)-2-methylbenzenesulfonamide
CID 114624857
2,4-dimethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 22774026
2-(carbamoylamino)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-3-methylbutanamide
CID 3383117

Frequently Asked Questions

What is the IUPAC name of [4-[(4-methoxy-2-methylphenyl)sulfonylamino]phenyl]urea?
The IUPAC name of [4-[(4-methoxy-2-methylphenyl)sulfonylamino]phenyl]urea (CID 47062796) is [4-[(4-methoxy-2-methylphenyl)sulfonylamino]phenyl]urea.
What is the SMILES notation for [4-[(4-methoxy-2-methylphenyl)sulfonylamino]phenyl]urea?
The canonical SMILES for [4-[(4-methoxy-2-methylphenyl)sulfonylamino]phenyl]urea is COc1ccc(S(=O)(=O)Nc2ccc(NC(N)=O)cc2)c(C)c1.
What is the InChIKey of [4-[(4-methoxy-2-methylphenyl)sulfonylamino]phenyl]urea?
The InChIKey is YONBZDWKISKKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4S/c1-10-9-13(22-2)7-8-14(10)23(20,21)18-12-5-3-11(4-6-12)17-15(16)19/h3-9,18H,1-2H3,(H3,16,17,19).
What are the key properties of [4-[(4-methoxy-2-methylphenyl)sulfonylamino]phenyl]urea?
[4-[(4-methoxy-2-methylphenyl)sulfonylamino]phenyl]urea has a molecular weight of 335.39 g/mol, XLogP of 2.30, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-methoxy-2-methylphenyl)sulfonylamino]phenyl]urea is sourced from PubChem (CID 47062796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).