1-[4-[[(3,4-dichlorophenyl)methylsulfonylamino]methyl]phenyl]-3-propan-2-ylurea

C18H21Cl2N3O3S — CID 56581852

IUPAC1-[4-[[(3,4-dichlorophenyl)methylsulfonylamino]methyl]phenyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1ccc(CNS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C18H21Cl2N3O3S/c1-12(2)22-18(24)23-15-6-3-13(4-7-15)10-21-27(25,26)11-14-5-8-16(19)17(20)9-14/h3-9,12,21H,10-11H2,1-2H3,(H2,22,23,24)
InChIKeyYGLJMRNFYBPERR-UHFFFAOYSA-N
MW430.36 g/mol
LogP4.14
Rot. Bonds7

About 1-[4-[[(3,4-dichlorophenyl)methylsulfonylamino]methyl]phenyl]-3-propan-2-ylurea

1-[4-[[(3,4-dichlorophenyl)methylsulfonylamino]methyl]phenyl]-3-propan-2-ylurea (PubChem CID 56581852) has the molecular formula C18H21Cl2N3O3S and a molecular weight of 430.36 g/mol. Its IUPAC name is 1-[4-[[(3,4-dichlorophenyl)methylsulfonylamino]methyl]phenyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[4-[[(3,4-dichlorophenyl)methylsulfonylamino]methyl]phenyl]-3-propan-2-ylurea
PubChem CID56581852
Molecular FormulaC18H21Cl2N3O3S
Molecular Weight430.36 g/mol
Exact Mass429.07
IUPAC Name1-[4-[[(3,4-dichlorophenyl)methylsulfonylamino]methyl]phenyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1ccc(CNS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C18H21Cl2N3O3S/c1-12(2)22-18(24)23-15-6-3-13(4-7-15)10-21-27(25,26)11-14-5-8-16(19)17(20)9-14/h3-9,12,21H,10-11H2,1-2H3,(H2,22,23,24)
InChIKeyYGLJMRNFYBPERR-UHFFFAOYSA-N
XLogP4.14
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.36
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[4-[[(3,4-dichlorophenyl)methylsulfonylamino]methyl]phenyl]-3-propan-2-ylurea with MolForge

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Related Compounds

N-[(3,4-dichlorophenyl)methyl]-N-methyl-4-(propan-2-ylcarbamoylamino)benzamide
CID 78894069
1-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]methanesulfonamide
CID 46771997
1-[4-[[(4-bromophenyl)sulfonylamino]methyl]phenyl]-3-propan-2-ylurea
CID 39666103
4-chloro-3-iodo-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide
CID 46456497
2,3,5-trichloro-6-hydroxy-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide
CID 112824262
2-(2,5-dichlorophenyl)sulfanyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]propanamide
CID 55838406
2-(4-chloro-3-methylphenoxy)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]propanamide
CID 55838261
N-[4-[(ethylsulfonylamino)methyl]phenyl]acetamide
CID 47371785
1-[4-[[(3-fluoro-4-methoxyphenyl)sulfonylamino]methyl]phenyl]-3-propan-2-ylurea
CID 39666239
1-[4-[[[N-[(2,4-dichlorophenyl)methyl]-N'-methylcarbamimidoyl]amino]methyl]phenyl]-3-propan-2-ylurea
CID 111198370
1-[4-[[(2,6-dimethylmorpholin-4-yl)sulfonylamino]methyl]phenyl]-3-propan-2-ylurea
CID 46452711
methyl 5-[[(3,4-dichlorophenyl)methylsulfonylamino]methyl]-2-methoxybenzoate
CID 56581815

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[(3,4-dichlorophenyl)methylsulfonylamino]methyl]phenyl]-3-propan-2-ylurea?
The IUPAC name of 1-[4-[[(3,4-dichlorophenyl)methylsulfonylamino]methyl]phenyl]-3-propan-2-ylurea (CID 56581852) is 1-[4-[[(3,4-dichlorophenyl)methylsulfonylamino]methyl]phenyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[4-[[(3,4-dichlorophenyl)methylsulfonylamino]methyl]phenyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[4-[[(3,4-dichlorophenyl)methylsulfonylamino]methyl]phenyl]-3-propan-2-ylurea is CC(C)NC(=O)Nc1ccc(CNS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 1-[4-[[(3,4-dichlorophenyl)methylsulfonylamino]methyl]phenyl]-3-propan-2-ylurea?
The InChIKey is YGLJMRNFYBPERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl2N3O3S/c1-12(2)22-18(24)23-15-6-3-13(4-7-15)10-21-27(25,26)11-14-5-8-16(19)17(20)9-14/h3-9,12,21H,10-11H2,1-2H3,(H2,22,23,24).
What are the key properties of 1-[4-[[(3,4-dichlorophenyl)methylsulfonylamino]methyl]phenyl]-3-propan-2-ylurea?
1-[4-[[(3,4-dichlorophenyl)methylsulfonylamino]methyl]phenyl]-3-propan-2-ylurea has a molecular weight of 430.36 g/mol, XLogP of 4.14, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[(3,4-dichlorophenyl)methylsulfonylamino]methyl]phenyl]-3-propan-2-ylurea is sourced from PubChem (CID 56581852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).