1-[(4-butylphenyl)sulfonylamino]-3-(2,3-dichlorophenyl)urea

C17H19Cl2N3O3S — CID 2954418

IUPAC1-[(4-butylphenyl)sulfonylamino]-3-(2,3-dichlorophenyl)urea
SMILESCCCCc1ccc(S(=O)(=O)NNC(=O)Nc2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C17H19Cl2N3O3S/c1-2-3-5-12-8-10-13(11-9-12)26(24,25)22-21-17(23)20-15-7-4-6-14(18)16(15)19/h4,6-11,22H,2-3,5H2,1H3,(H2,20,21,23)
InChIKeyCWIYDEGKHCMNCR-UHFFFAOYSA-N
MW416.33 g/mol
LogP4.35
Rot. Bonds7

About 1-[(4-butylphenyl)sulfonylamino]-3-(2,3-dichlorophenyl)urea

1-[(4-butylphenyl)sulfonylamino]-3-(2,3-dichlorophenyl)urea (PubChem CID 2954418) has the molecular formula C17H19Cl2N3O3S and a molecular weight of 416.33 g/mol. Its IUPAC name is 1-[(4-butylphenyl)sulfonylamino]-3-(2,3-dichlorophenyl)urea.

Molecular Properties

Compound Name1-[(4-butylphenyl)sulfonylamino]-3-(2,3-dichlorophenyl)urea
PubChem CID2954418
Molecular FormulaC17H19Cl2N3O3S
Molecular Weight416.33 g/mol
Exact Mass415.05
IUPAC Name1-[(4-butylphenyl)sulfonylamino]-3-(2,3-dichlorophenyl)urea
SMILESCCCCc1ccc(S(=O)(=O)NNC(=O)Nc2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C17H19Cl2N3O3S/c1-2-3-5-12-8-10-13(11-9-12)26(24,25)22-21-17(23)20-15-7-4-6-14(18)16(15)19/h4,6-11,22H,2-3,5H2,1H3,(H2,20,21,23)
InChIKeyCWIYDEGKHCMNCR-UHFFFAOYSA-N
XLogP4.35
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.33
LogP ≤ 54.35
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

N-(2,3-dichlorophenyl)-3-[4-(ethylsulfamoyl)phenyl]propanamide
CID 3998601
N-[4-[(4-butylphenyl)sulfonylamino]phenyl]acetamide
CID 22774827
N-[4-[(2,3-dichlorophenyl)carbamoylamino]phenyl]sulfonylacetamide
CID 4070537
1-(1,3-benzodioxol-5-yl)-3-[(4-butylphenyl)sulfonylamino]urea
CID 2955578
1-(2,3-dichlorophenyl)-3-propylurea
CID 4654956
N-(3-butyl-2-chlorophenyl)acetamide
CID 71304494
1-(2,3-dichlorophenyl)-3-[(4-fluorophenyl)sulfonylamino]thiourea
CID 2206508
N-[3-[(4-butylphenyl)sulfonylamino]phenyl]acetamide
CID 17388137
N-[4-(benzenesulfonamidocarbamoyl)phenyl]-4-pentylbenzenesulfonamide
CID 10289140
4-butyl-N-(2-butylphenyl)benzenesulfonamide
CID 22774370
(4-butylphenyl)-(2,6-dichlorophenyl)methanone
CID 43160097
1-(2,3-dichlorophenyl)-3-(2-ethylphenyl)urea
CID 108991483

Frequently Asked Questions

What is the IUPAC name of 1-[(4-butylphenyl)sulfonylamino]-3-(2,3-dichlorophenyl)urea?
The IUPAC name of 1-[(4-butylphenyl)sulfonylamino]-3-(2,3-dichlorophenyl)urea (CID 2954418) is 1-[(4-butylphenyl)sulfonylamino]-3-(2,3-dichlorophenyl)urea.
What is the SMILES notation for 1-[(4-butylphenyl)sulfonylamino]-3-(2,3-dichlorophenyl)urea?
The canonical SMILES for 1-[(4-butylphenyl)sulfonylamino]-3-(2,3-dichlorophenyl)urea is CCCCc1ccc(S(=O)(=O)NNC(=O)Nc2cccc(Cl)c2Cl)cc1.
What is the InChIKey of 1-[(4-butylphenyl)sulfonylamino]-3-(2,3-dichlorophenyl)urea?
The InChIKey is CWIYDEGKHCMNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N3O3S/c1-2-3-5-12-8-10-13(11-9-12)26(24,25)22-21-17(23)20-15-7-4-6-14(18)16(15)19/h4,6-11,22H,2-3,5H2,1H3,(H2,20,21,23).
What are the key properties of 1-[(4-butylphenyl)sulfonylamino]-3-(2,3-dichlorophenyl)urea?
1-[(4-butylphenyl)sulfonylamino]-3-(2,3-dichlorophenyl)urea has a molecular weight of 416.33 g/mol, XLogP of 4.35, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-butylphenyl)sulfonylamino]-3-(2,3-dichlorophenyl)urea is sourced from PubChem (CID 2954418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).