(4-chlorophenyl) N-(benzenesulfonyl)-N-methylcarbamate

C14H12ClNO4S — CID 10711199

IUPAC(4-chlorophenyl) N-(benzenesulfonyl)-N-methylcarbamate
SMILESCN(C(=O)Oc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H12ClNO4S/c1-16(21(18,19)13-5-3-2-4-6-13)14(17)20-12-9-7-11(15)8-10-12/h2-10H,1H3
InChIKeyZHMBREHUUUDYJC-UHFFFAOYSA-N
MW325.77 g/mol
LogP3.16
Rot. Bonds3

About (4-chlorophenyl) N-(benzenesulfonyl)-N-methylcarbamate

(4-chlorophenyl) N-(benzenesulfonyl)-N-methylcarbamate (PubChem CID 10711199) has the molecular formula C14H12ClNO4S and a molecular weight of 325.77 g/mol. Its IUPAC name is (4-chlorophenyl) N-(benzenesulfonyl)-N-methylcarbamate.

Molecular Properties

Compound Name(4-chlorophenyl) N-(benzenesulfonyl)-N-methylcarbamate
PubChem CID10711199
Molecular FormulaC14H12ClNO4S
Molecular Weight325.77 g/mol
Exact Mass325.02
IUPAC Name(4-chlorophenyl) N-(benzenesulfonyl)-N-methylcarbamate
SMILESCN(C(=O)Oc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H12ClNO4S/c1-16(21(18,19)13-5-3-2-4-6-13)14(17)20-12-9-7-11(15)8-10-12/h2-10H,1H3
InChIKeyZHMBREHUUUDYJC-UHFFFAOYSA-N
XLogP3.16
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.77
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[butyl(methyl)sulfamoyl]phenyl] N-methyl-N-phenylcarbamate
CID 90862330
(4-methoxyphenyl) N-anilino-N-(benzenesulfonyl)carbamate
CID 127037917
4-chloro-N-methyl-N-phenacylbenzenesulfonamide
CID 58597544
(1-methylpyridin-1-ium-4-yl) N-methyl-N-phenylcarbamate
CID 10022032
(2S)-2-[(4-chlorophenyl)sulfonyl-methylamino]-3-(4-phenoxyphenyl)propanoic acid
CID 100557158
(4-chlorophenyl) 3-[methyl-(4-methylphenyl)sulfamoyl]benzoate
CID 2667235
(4-ethylphenyl) N-methyl-N-phenylcarbamate
CID 91395090
(4-chlorophenyl) acetate
CID 13410
[4-[benzenesulfonyl(methyl)amino]phenyl] 4-methylbenzoate
CID 71904345
[4-[benzenesulfonyl(methyl)amino]phenyl] (E)-3-phenylprop-2-enoate
CID 7921384
phenyl 4-chloro-3-[(4-chlorophenyl)-methylsulfamoyl]benzoate
CID 2668465
N'-(benzenesulfonyl)-N'-tert-butyl-4-chlorobenzohydrazide
CID 134120408

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl) N-(benzenesulfonyl)-N-methylcarbamate?
The IUPAC name of (4-chlorophenyl) N-(benzenesulfonyl)-N-methylcarbamate (CID 10711199) is (4-chlorophenyl) N-(benzenesulfonyl)-N-methylcarbamate.
What is the SMILES notation for (4-chlorophenyl) N-(benzenesulfonyl)-N-methylcarbamate?
The canonical SMILES for (4-chlorophenyl) N-(benzenesulfonyl)-N-methylcarbamate is CN(C(=O)Oc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of (4-chlorophenyl) N-(benzenesulfonyl)-N-methylcarbamate?
The InChIKey is ZHMBREHUUUDYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO4S/c1-16(21(18,19)13-5-3-2-4-6-13)14(17)20-12-9-7-11(15)8-10-12/h2-10H,1H3.
What are the key properties of (4-chlorophenyl) N-(benzenesulfonyl)-N-methylcarbamate?
(4-chlorophenyl) N-(benzenesulfonyl)-N-methylcarbamate has a molecular weight of 325.77 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl) N-(benzenesulfonyl)-N-methylcarbamate is sourced from PubChem (CID 10711199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).