(2,3-dichlorophenyl) N-(4-methylphenyl)sulfonylcarbamate

C14H11Cl2NO4S — CID 165353514

IUPAC(2,3-dichlorophenyl) N-(4-methylphenyl)sulfonylcarbamate
SMILESCc1ccc(S(=O)(=O)NC(=O)Oc2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C14H11Cl2NO4S/c1-9-5-7-10(8-6-9)22(19,20)17-14(18)21-12-4-2-3-11(15)13(12)16/h2-8H,1H3,(H,17,18)
InChIKeyHVPBKCZXPOBEKO-UHFFFAOYSA-N
MW360.22 g/mol
LogP3.78
Rot. Bonds3

About (2,3-dichlorophenyl) N-(4-methylphenyl)sulfonylcarbamate

(2,3-dichlorophenyl) N-(4-methylphenyl)sulfonylcarbamate (PubChem CID 165353514) has the molecular formula C14H11Cl2NO4S and a molecular weight of 360.22 g/mol. Its IUPAC name is (2,3-dichlorophenyl) N-(4-methylphenyl)sulfonylcarbamate.

Molecular Properties

Compound Name(2,3-dichlorophenyl) N-(4-methylphenyl)sulfonylcarbamate
PubChem CID165353514
Molecular FormulaC14H11Cl2NO4S
Molecular Weight360.22 g/mol
Exact Mass358.98
IUPAC Name(2,3-dichlorophenyl) N-(4-methylphenyl)sulfonylcarbamate
SMILESCc1ccc(S(=O)(=O)NC(=O)Oc2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C14H11Cl2NO4S/c1-9-5-7-10(8-6-9)22(19,20)17-14(18)21-12-4-2-3-11(15)13(12)16/h2-8H,1H3,(H,17,18)
InChIKeyHVPBKCZXPOBEKO-UHFFFAOYSA-N
XLogP3.78
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.22
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,3-dichlorophenyl) N-methylcarbamate;hydrochloride
CID 141106897
[(E)-[(2,6-dichlorophenyl)-(4-methylphenyl)sulfonylmethylidene]amino] N-(4-methylphenyl)sulfonylcarbamate
CID 19742783
2-[(2,3-dichlorophenyl)hydrazinylidene]-N,N'-bis-(4-methylphenyl)sulfonylpropanediamide
CID 4873326
2,3-dichloro-N'-(4-methylphenyl)sulfonylbenzenesulfonohydrazide
CID 8500668
(2-chlorophenyl) 3-[(4-methylphenyl)sulfonylcarbamoylamino]benzoate
CID 22564866
sulfamoyl N-(4-methylphenyl)sulfonylcarbamate
CID 10017321
[2-[(4-sulfamoylphenyl)iminomethyl]phenyl] N-(4-methylphenyl)sulfonylcarbamate
CID 102015752
methyl 3-chloro-2-[(4-methylphenyl)sulfonylamino]benzoate
CID 169373285
N-(2-chloro-6-methylphenyl)-4-methylbenzenesulfonamide
CID 19256835
1-(2-chlorophenyl)-3-(4-methylphenyl)sulfonylthiourea
CID 139645074
(4-methylphenyl)sulfonylurea;urea
CID 160676948
2-(2-chlorophenoxy)-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanamide
CID 132673275

Frequently Asked Questions

What is the IUPAC name of (2,3-dichlorophenyl) N-(4-methylphenyl)sulfonylcarbamate?
The IUPAC name of (2,3-dichlorophenyl) N-(4-methylphenyl)sulfonylcarbamate (CID 165353514) is (2,3-dichlorophenyl) N-(4-methylphenyl)sulfonylcarbamate.
What is the SMILES notation for (2,3-dichlorophenyl) N-(4-methylphenyl)sulfonylcarbamate?
The canonical SMILES for (2,3-dichlorophenyl) N-(4-methylphenyl)sulfonylcarbamate is Cc1ccc(S(=O)(=O)NC(=O)Oc2cccc(Cl)c2Cl)cc1.
What is the InChIKey of (2,3-dichlorophenyl) N-(4-methylphenyl)sulfonylcarbamate?
The InChIKey is HVPBKCZXPOBEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NO4S/c1-9-5-7-10(8-6-9)22(19,20)17-14(18)21-12-4-2-3-11(15)13(12)16/h2-8H,1H3,(H,17,18).
What are the key properties of (2,3-dichlorophenyl) N-(4-methylphenyl)sulfonylcarbamate?
(2,3-dichlorophenyl) N-(4-methylphenyl)sulfonylcarbamate has a molecular weight of 360.22 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dichlorophenyl) N-(4-methylphenyl)sulfonylcarbamate is sourced from PubChem (CID 165353514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).