1-(4-chlorophenyl)-3-[2-[(4-nitrophenyl)sulfonylamino]phenyl]urea

C19H15ClN4O5S — CID 171352632

IUPAC1-(4-chlorophenyl)-3-[2-[(4-nitrophenyl)sulfonylamino]phenyl]urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H15ClN4O5S/c20-13-5-7-14(8-6-13)21-19(25)22-17-3-1-2-4-18(17)23-30(28,29)16-11-9-15(10-12-16)24(26)27/h1-12,23H,(H2,21,22,25)
InChIKeyKIOKKTLFSIYLGA-UHFFFAOYSA-N
MW446.87 g/mol
LogP4.69
Rot. Bonds6

About 1-(4-chlorophenyl)-3-[2-[(4-nitrophenyl)sulfonylamino]phenyl]urea

1-(4-chlorophenyl)-3-[2-[(4-nitrophenyl)sulfonylamino]phenyl]urea (PubChem CID 171352632) has the molecular formula C19H15ClN4O5S and a molecular weight of 446.87 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[2-[(4-nitrophenyl)sulfonylamino]phenyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[2-[(4-nitrophenyl)sulfonylamino]phenyl]urea
PubChem CID171352632
Molecular FormulaC19H15ClN4O5S
Molecular Weight446.87 g/mol
Exact Mass446.05
IUPAC Name1-(4-chlorophenyl)-3-[2-[(4-nitrophenyl)sulfonylamino]phenyl]urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H15ClN4O5S/c20-13-5-7-14(8-6-13)21-19(25)22-17-3-1-2-4-18(17)23-30(28,29)16-11-9-15(10-12-16)24(26)27/h1-12,23H,(H2,21,22,25)
InChIKeyKIOKKTLFSIYLGA-UHFFFAOYSA-N
XLogP4.69
TPSA130.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.87
LogP ≤ 54.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(3,4-dichlorophenyl)-3-[2-[(4-nitrophenyl)sulfonylamino]phenyl]urea
CID 171352609
1-[2-[(4-chlorophenyl)sulfonylamino]phenyl]-3-phenylurea
CID 16615674
1-(4-methoxyphenyl)-3-[2-[(4-nitrophenyl)sulfonylamino]phenyl]urea
CID 171358011
1-(4-chlorophenyl)sulfonyl-3-(4-nitrophenyl)urea
CID 134114974
1-[2-(benzenesulfonamido)-4-nitrophenyl]-3-phenylurea
CID 158579862
1-[4-[4-(benzenesulfonamido)phenyl]sulfonylphenyl]-3-(4-nitrophenyl)urea
CID 156902705
1-(4-nitrophenyl)-3-[4-[(4-propan-2-ylphenyl)sulfamoyl]phenyl]urea
CID 166423466
2-[(4-chlorophenyl)sulfonylamino]-N-[(Z)-(4-nitrophenyl)methylideneamino]benzamide
CID 6009778
1-(4-nitrophenyl)-3-(2-sulfanylphenyl)urea
CID 108886342
1-(2-chloro-4,5-difluorophenyl)-3-[4-(4-nitrophenyl)sulfonylphenyl]urea
CID 4591955
1-[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]-3-(4-chlorophenyl)urea
CID 2983994
1-naphthalen-1-yl-3-(4-nitrophenyl)urea
CID 5086557

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[2-[(4-nitrophenyl)sulfonylamino]phenyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[2-[(4-nitrophenyl)sulfonylamino]phenyl]urea (CID 171352632) is 1-(4-chlorophenyl)-3-[2-[(4-nitrophenyl)sulfonylamino]phenyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[2-[(4-nitrophenyl)sulfonylamino]phenyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[2-[(4-nitrophenyl)sulfonylamino]phenyl]urea is O=C(Nc1ccc(Cl)cc1)Nc1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[2-[(4-nitrophenyl)sulfonylamino]phenyl]urea?
The InChIKey is KIOKKTLFSIYLGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O5S/c20-13-5-7-14(8-6-13)21-19(25)22-17-3-1-2-4-18(17)23-30(28,29)16-11-9-15(10-12-16)24(26)27/h1-12,23H,(H2,21,22,25).
What are the key properties of 1-(4-chlorophenyl)-3-[2-[(4-nitrophenyl)sulfonylamino]phenyl]urea?
1-(4-chlorophenyl)-3-[2-[(4-nitrophenyl)sulfonylamino]phenyl]urea has a molecular weight of 446.87 g/mol, XLogP of 4.69, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[2-[(4-nitrophenyl)sulfonylamino]phenyl]urea is sourced from PubChem (CID 171352632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).