tert-butyl N-(3-chlorosulfonylphenyl)carbamate

C11H14ClNO4S — CID 53439125

IUPACtert-butyl N-(3-chlorosulfonylphenyl)carbamate
SMILESCC(C)(C)OC(=O)Nc1cccc(S(=O)(=O)Cl)c1
InChIInChI=1S/C11H14ClNO4S/c1-11(2,3)17-10(14)13-8-5-4-6-9(7-8)18(12,15)16/h4-7H,1-3H3,(H,13,14)
InChIKeyGLRCOVCCHBYKRR-UHFFFAOYSA-N
MW291.76 g/mol
LogP2.96
Rot. Bonds2

About tert-butyl N-(3-chlorosulfonylphenyl)carbamate

tert-butyl N-(3-chlorosulfonylphenyl)carbamate (PubChem CID 53439125) has the molecular formula C11H14ClNO4S and a molecular weight of 291.76 g/mol. Its IUPAC name is tert-butyl N-(3-chlorosulfonylphenyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-chlorosulfonylphenyl)carbamate
PubChem CID53439125
Molecular FormulaC11H14ClNO4S
Molecular Weight291.76 g/mol
Exact Mass291.03
IUPAC Nametert-butyl N-(3-chlorosulfonylphenyl)carbamate
SMILESCC(C)(C)OC(=O)Nc1cccc(S(=O)(=O)Cl)c1
InChIInChI=1S/C11H14ClNO4S/c1-11(2,3)17-10(14)13-8-5-4-6-9(7-8)18(12,15)16/h4-7H,1-3H3,(H,13,14)
InChIKeyGLRCOVCCHBYKRR-UHFFFAOYSA-N
XLogP2.96
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.76
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Carbamic acid, [[4-(acetylamino)phenyl]sulfonyl]-, methyl ester
CID 607662
Carbasulam
CID 15679
Ethyl {4-[(acetylamino)sulfonyl]phenyl}carbamate
CID 874302
methyl N-[4-(chlorosulfonyl)phenyl]carbamate
CID 611894
3-Acetamidobenzene-1-sulfonyl chloride
CID 3157455
methyl N-[4-(dimethylsulfamoyl)phenyl]carbamate
CID 827568
tert-butyl N-[4-oxo-4-(3-sulfamoylanilino)butyl]carbamate
CID 118707458
tert-butyl N-(4-sulfanylphenyl)carbamate
CID 59412418
tert-butyl N-[3-(methylsulfanyl)phenyl]carbamate
CID 54411190
S-(2-((phenylcarbamoyl)oxy)ethyl) methanesulfonothioate
CID 118730363
tert-butyl N-(4-sulfamoylphenyl)carbamate
CID 11369299
3-Acetamido-4-fluorobenzene-1-sulfonyl chloride
CID 22729868

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-chlorosulfonylphenyl)carbamate?
The IUPAC name of tert-butyl N-(3-chlorosulfonylphenyl)carbamate (CID 53439125) is tert-butyl N-(3-chlorosulfonylphenyl)carbamate.
What is the SMILES notation for tert-butyl N-(3-chlorosulfonylphenyl)carbamate?
The canonical SMILES for tert-butyl N-(3-chlorosulfonylphenyl)carbamate is CC(C)(C)OC(=O)Nc1cccc(S(=O)(=O)Cl)c1.
What is the InChIKey of tert-butyl N-(3-chlorosulfonylphenyl)carbamate?
The InChIKey is GLRCOVCCHBYKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO4S/c1-11(2,3)17-10(14)13-8-5-4-6-9(7-8)18(12,15)16/h4-7H,1-3H3,(H,13,14).
What are the key properties of tert-butyl N-(3-chlorosulfonylphenyl)carbamate?
tert-butyl N-(3-chlorosulfonylphenyl)carbamate has a molecular weight of 291.76 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-chlorosulfonylphenyl)carbamate is sourced from PubChem (CID 53439125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).