propan-2-yl N-[(2-chloro-5-cyanophenyl)sulfamoyl]carbamate

C11H12ClN3O4S — CID 114463481

IUPACpropan-2-yl N-[(2-chloro-5-cyanophenyl)sulfamoyl]carbamate
SMILESCC(C)OC(=O)NS(=O)(=O)Nc1cc(C#N)ccc1Cl
InChIInChI=1S/C11H12ClN3O4S/c1-7(2)19-11(16)15-20(17,18)14-10-5-8(6-13)3-4-9(10)12/h3-5,7,14H,1-2H3,(H,15,16)
InChIKeyBWWSEEUMCZVOIE-UHFFFAOYSA-N
MW317.75 g/mol
LogP2.00
Rot. Bonds4

About propan-2-yl N-[(2-chloro-5-cyanophenyl)sulfamoyl]carbamate

propan-2-yl N-[(2-chloro-5-cyanophenyl)sulfamoyl]carbamate (PubChem CID 114463481) has the molecular formula C11H12ClN3O4S and a molecular weight of 317.75 g/mol. Its IUPAC name is propan-2-yl N-[(2-chloro-5-cyanophenyl)sulfamoyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[(2-chloro-5-cyanophenyl)sulfamoyl]carbamate
PubChem CID114463481
Molecular FormulaC11H12ClN3O4S
Molecular Weight317.75 g/mol
Exact Mass317.02
IUPAC Namepropan-2-yl N-[(2-chloro-5-cyanophenyl)sulfamoyl]carbamate
SMILESCC(C)OC(=O)NS(=O)(=O)Nc1cc(C#N)ccc1Cl
InChIInChI=1S/C11H12ClN3O4S/c1-7(2)19-11(16)15-20(17,18)14-10-5-8(6-13)3-4-9(10)12/h3-5,7,14H,1-2H3,(H,15,16)
InChIKeyBWWSEEUMCZVOIE-UHFFFAOYSA-N
XLogP2.00
TPSA108.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.75
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

propan-2-yl N-[(2-aminophenyl)sulfamoyl]carbamate
CID 114461496
propan-2-yl N-[(2-chloro-5-methyl-3-pyridinyl)sulfamoyl]carbamate
CID 114050687
propan-2-yl N-(2-amino-4-cyanophenyl)carbamate
CID 78965446
propan-2-yl N-[(2-hydroxy-5-methoxyphenyl)sulfamoyl]carbamate
CID 102696028
3-amino-N-(2-chloro-5-cyanophenyl)-2-methylbutanamide
CID 113416373
N-(2-chloro-5-cyanophenyl)-3-methyl-2-sulfanylbutanamide
CID 107032759
propan-2-yl N-[(5-cyano-2-methylpyrimidin-4-yl)sulfamoyl]carbamate
CID 110192670
chloromethyl N-(2-chloro-5-cyanophenyl)carbamate
CID 164652627
N-(2-chloro-5-cyanophenyl)-2,2-difluoroacetamide
CID 103513783
propan-2-yl N-[[4-(chloromethyl)phenyl]sulfamoyl]carbamate
CID 114466358
propan-2-yl N-[(2-carbamothioyl-4-fluorophenyl)sulfamoyl]carbamate
CID 114463692
4-amino-N-(2-chloro-5-cyanophenyl)-3-methylbutanamide
CID 81079180

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[(2-chloro-5-cyanophenyl)sulfamoyl]carbamate?
The IUPAC name of propan-2-yl N-[(2-chloro-5-cyanophenyl)sulfamoyl]carbamate (CID 114463481) is propan-2-yl N-[(2-chloro-5-cyanophenyl)sulfamoyl]carbamate.
What is the SMILES notation for propan-2-yl N-[(2-chloro-5-cyanophenyl)sulfamoyl]carbamate?
The canonical SMILES for propan-2-yl N-[(2-chloro-5-cyanophenyl)sulfamoyl]carbamate is CC(C)OC(=O)NS(=O)(=O)Nc1cc(C#N)ccc1Cl.
What is the InChIKey of propan-2-yl N-[(2-chloro-5-cyanophenyl)sulfamoyl]carbamate?
The InChIKey is BWWSEEUMCZVOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O4S/c1-7(2)19-11(16)15-20(17,18)14-10-5-8(6-13)3-4-9(10)12/h3-5,7,14H,1-2H3,(H,15,16).
What are the key properties of propan-2-yl N-[(2-chloro-5-cyanophenyl)sulfamoyl]carbamate?
propan-2-yl N-[(2-chloro-5-cyanophenyl)sulfamoyl]carbamate has a molecular weight of 317.75 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[(2-chloro-5-cyanophenyl)sulfamoyl]carbamate is sourced from PubChem (CID 114463481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).