1-[3-[(3,4-dichlorophenyl)sulfonylamino]phenyl]-3-methylurea

C14H13Cl2N3O3S — CID 36511529

IUPAC1-[3-[(3,4-dichlorophenyl)sulfonylamino]phenyl]-3-methylurea
SMILESCNC(=O)Nc1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C14H13Cl2N3O3S/c1-17-14(20)18-9-3-2-4-10(7-9)19-23(21,22)11-5-6-12(15)13(16)8-11/h2-8,19H,1H3,(H2,17,18,20)
InChIKeyTUNSKXQFQBKNFW-UHFFFAOYSA-N
MW374.25 g/mol
LogP3.55
Rot. Bonds4

About 1-[3-[(3,4-dichlorophenyl)sulfonylamino]phenyl]-3-methylurea

1-[3-[(3,4-dichlorophenyl)sulfonylamino]phenyl]-3-methylurea (PubChem CID 36511529) has the molecular formula C14H13Cl2N3O3S and a molecular weight of 374.25 g/mol. Its IUPAC name is 1-[3-[(3,4-dichlorophenyl)sulfonylamino]phenyl]-3-methylurea.

Molecular Properties

Compound Name1-[3-[(3,4-dichlorophenyl)sulfonylamino]phenyl]-3-methylurea
PubChem CID36511529
Molecular FormulaC14H13Cl2N3O3S
Molecular Weight374.25 g/mol
Exact Mass373.01
IUPAC Name1-[3-[(3,4-dichlorophenyl)sulfonylamino]phenyl]-3-methylurea
SMILESCNC(=O)Nc1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C14H13Cl2N3O3S/c1-17-14(20)18-9-3-2-4-10(7-9)19-23(21,22)11-5-6-12(15)13(16)8-11/h2-8,19H,1H3,(H2,17,18,20)
InChIKeyTUNSKXQFQBKNFW-UHFFFAOYSA-N
XLogP3.55
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.25
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetylphenyl)-3,4-dichlorobenzenesulfonamide
CID 3702970
1-[3-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-3-(4-methylphenyl)urea
CID 70667544
1-[3-[(3,5-difluorophenyl)sulfonylamino]phenyl]-3-methylurea
CID 36511499
3-[(3,4-dichlorophenyl)sulfonylamino]-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 24635607
3-[(3,4-dichlorophenyl)sulfonylamino]benzoic acid
CID 2234493
1-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-3-phenylurea
CID 4171462
1-[3-[(3,4-diethoxyphenyl)sulfonylamino]phenyl]-3-methylurea
CID 36512808
3-[(3,4-dichlorophenyl)sulfonylamino]-N-propan-2-ylbenzamide
CID 27648381
3,4-dichloro-N-(3-methoxyphenyl)benzenesulfonamide
CID 7745694
N-[3-[(3,5-dichlorophenyl)sulfonylamino]phenyl]acetamide
CID 4816692
3-[(3,4-dichlorophenyl)sulfonylamino]-N-methoxybenzamide
CID 33102554
N-(3-benzylphenyl)-3,4-dichlorobenzenesulfonamide
CID 3858982

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3,4-dichlorophenyl)sulfonylamino]phenyl]-3-methylurea?
The IUPAC name of 1-[3-[(3,4-dichlorophenyl)sulfonylamino]phenyl]-3-methylurea (CID 36511529) is 1-[3-[(3,4-dichlorophenyl)sulfonylamino]phenyl]-3-methylurea.
What is the SMILES notation for 1-[3-[(3,4-dichlorophenyl)sulfonylamino]phenyl]-3-methylurea?
The canonical SMILES for 1-[3-[(3,4-dichlorophenyl)sulfonylamino]phenyl]-3-methylurea is CNC(=O)Nc1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of 1-[3-[(3,4-dichlorophenyl)sulfonylamino]phenyl]-3-methylurea?
The InChIKey is TUNSKXQFQBKNFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N3O3S/c1-17-14(20)18-9-3-2-4-10(7-9)19-23(21,22)11-5-6-12(15)13(16)8-11/h2-8,19H,1H3,(H2,17,18,20).
What are the key properties of 1-[3-[(3,4-dichlorophenyl)sulfonylamino]phenyl]-3-methylurea?
1-[3-[(3,4-dichlorophenyl)sulfonylamino]phenyl]-3-methylurea has a molecular weight of 374.25 g/mol, XLogP of 3.55, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3,4-dichlorophenyl)sulfonylamino]phenyl]-3-methylurea is sourced from PubChem (CID 36511529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).