tert-butyl N-[(2-chlorophenyl)sulfonylamino]carbamate

C11H15ClN2O4S — CID 8500976

IUPACtert-butyl N-[(2-chlorophenyl)sulfonylamino]carbamate
SMILESCC(C)(C)OC(=O)NNS(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C11H15ClN2O4S/c1-11(2,3)18-10(15)13-14-19(16,17)9-7-5-4-6-8(9)12/h4-7,14H,1-3H3,(H,13,15)
InChIKeyZJWYSVJMDIANMI-UHFFFAOYSA-N
MW306.77 g/mol
LogP2.06
Rot. Bonds3

About tert-butyl N-[(2-chlorophenyl)sulfonylamino]carbamate

tert-butyl N-[(2-chlorophenyl)sulfonylamino]carbamate (PubChem CID 8500976) has the molecular formula C11H15ClN2O4S and a molecular weight of 306.77 g/mol. Its IUPAC name is tert-butyl N-[(2-chlorophenyl)sulfonylamino]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2-chlorophenyl)sulfonylamino]carbamate
PubChem CID8500976
Molecular FormulaC11H15ClN2O4S
Molecular Weight306.77 g/mol
Exact Mass306.04
IUPAC Nametert-butyl N-[(2-chlorophenyl)sulfonylamino]carbamate
SMILESCC(C)(C)OC(=O)NNS(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C11H15ClN2O4S/c1-11(2,3)18-10(15)13-14-19(16,17)9-7-5-4-6-8(9)12/h4-7,14H,1-3H3,(H,13,15)
InChIKeyZJWYSVJMDIANMI-UHFFFAOYSA-N
XLogP2.06
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.77
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[(2,3-dichlorophenyl)sulfonylamino]carbamate
CID 8500966
tert-butyl N-[(3,4-dichlorophenyl)sulfonylamino]carbamate
CID 8500952
tert-butyl N-[(3,5-dichlorophenyl)sulfonylamino]carbamate
CID 8500975
tert-butyl N-[(2,5-dimethylphenyl)sulfonylamino]carbamate
CID 8500958
tert-butyl N-[(3-aminophenyl)sulfonylamino]carbamate
CID 59912049
tert-butyl N-(2-chlorobenzoyl)carbamate
CID 140878254
ethyl N-[(3-chloro-2-fluorophenyl)sulfonylamino]carbamate
CID 47309506
2-[(2-chlorophenyl)sulfonylamino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79792043
ethyl 4-[[(2-methylpropan-2-yl)oxycarbonylamino]sulfamoyl]benzoate
CID 8500965
N'-(2,3-dichlorophenyl)sulfonylpropanehydrazide
CID 8505483
[(2-chlorophenyl)sulfonyl-[(2-methylpropan-2-yl)oxycarbonyl]amino] 2,2-dimethylpropanoate
CID 53241185
[(2-chlorophenyl)sulfonylamino] 4-methylbenzoate
CID 91245772

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2-chlorophenyl)sulfonylamino]carbamate?
The IUPAC name of tert-butyl N-[(2-chlorophenyl)sulfonylamino]carbamate (CID 8500976) is tert-butyl N-[(2-chlorophenyl)sulfonylamino]carbamate.
What is the SMILES notation for tert-butyl N-[(2-chlorophenyl)sulfonylamino]carbamate?
The canonical SMILES for tert-butyl N-[(2-chlorophenyl)sulfonylamino]carbamate is CC(C)(C)OC(=O)NNS(=O)(=O)c1ccccc1Cl.
What is the InChIKey of tert-butyl N-[(2-chlorophenyl)sulfonylamino]carbamate?
The InChIKey is ZJWYSVJMDIANMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O4S/c1-11(2,3)18-10(15)13-14-19(16,17)9-7-5-4-6-8(9)12/h4-7,14H,1-3H3,(H,13,15).
What are the key properties of tert-butyl N-[(2-chlorophenyl)sulfonylamino]carbamate?
tert-butyl N-[(2-chlorophenyl)sulfonylamino]carbamate has a molecular weight of 306.77 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2-chlorophenyl)sulfonylamino]carbamate is sourced from PubChem (CID 8500976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).