1-[(4-tert-butylphenyl)sulfonylamino]-3-phenylurea

C17H21N3O3S — CID 17429773

IUPAC1-[(4-tert-butylphenyl)sulfonylamino]-3-phenylurea
SMILESCC(C)(C)c1ccc(S(=O)(=O)NNC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C17H21N3O3S/c1-17(2,3)13-9-11-15(12-10-13)24(22,23)20-19-16(21)18-14-7-5-4-6-8-14/h4-12,20H,1-3H3,(H2,18,19,21)
InChIKeyDNHOEYDNMVFMGX-UHFFFAOYSA-N
MW347.44 g/mol
LogP3.00
Rot. Bonds4

About 1-[(4-tert-butylphenyl)sulfonylamino]-3-phenylurea

1-[(4-tert-butylphenyl)sulfonylamino]-3-phenylurea (PubChem CID 17429773) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is 1-[(4-tert-butylphenyl)sulfonylamino]-3-phenylurea.

Molecular Properties

Compound Name1-[(4-tert-butylphenyl)sulfonylamino]-3-phenylurea
PubChem CID17429773
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name1-[(4-tert-butylphenyl)sulfonylamino]-3-phenylurea
SMILESCC(C)(C)c1ccc(S(=O)(=O)NNC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C17H21N3O3S/c1-17(2,3)13-9-11-15(12-10-13)24(22,23)20-19-16(21)18-14-7-5-4-6-8-14/h4-12,20H,1-3H3,(H2,18,19,21)
InChIKeyDNHOEYDNMVFMGX-UHFFFAOYSA-N
XLogP3.00
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(benzenesulfonyl)-3-(4-tert-butylphenyl)urea
CID 58646054
1-[(4-phenoxyphenyl)sulfonylamino]-3-phenylurea
CID 12505124
4-tert-butyl-N'-(4-methylphenyl)sulfonylbenzohydrazide
CID 923515
1-[4-[[4-(2-amino-2-methylpropyl)phenyl]sulfamoyl]phenyl]-3-(4-tert-butylphenyl)urea
CID 46882305
N'-(4-tert-butylphenyl)sulfonyl-2-(2-methoxyphenoxy)acetohydrazide
CID 8506530
N-[4-[[(4-methylphenyl)sulfonylamino]carbamoyl]phenyl]benzamide
CID 3293465
N'-(4-tert-butylphenyl)-N-phenylpropanediamide
CID 108952831
2-amino-N'-(benzenesulfonyl)-2-methylpropanehydrazide
CID 67519869
4-tert-butyl-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 3595428
phenyl N-(4-tert-butylphenyl)sulfonylcarbamate
CID 134553479
1-(benzenesulfonamido)-3-propan-2-ylurea
CID 47173657
1-(4-tert-butylphenyl)sulfonyl-3-(2-phenylethyl)urea
CID 141051809

Frequently Asked Questions

What is the IUPAC name of 1-[(4-tert-butylphenyl)sulfonylamino]-3-phenylurea?
The IUPAC name of 1-[(4-tert-butylphenyl)sulfonylamino]-3-phenylurea (CID 17429773) is 1-[(4-tert-butylphenyl)sulfonylamino]-3-phenylurea.
What is the SMILES notation for 1-[(4-tert-butylphenyl)sulfonylamino]-3-phenylurea?
The canonical SMILES for 1-[(4-tert-butylphenyl)sulfonylamino]-3-phenylurea is CC(C)(C)c1ccc(S(=O)(=O)NNC(=O)Nc2ccccc2)cc1.
What is the InChIKey of 1-[(4-tert-butylphenyl)sulfonylamino]-3-phenylurea?
The InChIKey is DNHOEYDNMVFMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-17(2,3)13-9-11-15(12-10-13)24(22,23)20-19-16(21)18-14-7-5-4-6-8-14/h4-12,20H,1-3H3,(H2,18,19,21).
What are the key properties of 1-[(4-tert-butylphenyl)sulfonylamino]-3-phenylurea?
1-[(4-tert-butylphenyl)sulfonylamino]-3-phenylurea has a molecular weight of 347.44 g/mol, XLogP of 3.00, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-tert-butylphenyl)sulfonylamino]-3-phenylurea is sourced from PubChem (CID 17429773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).