tert-butyl N-[4-[(4-chlorophenyl)sulfonylamino]but-2-enyl]carbamate

C15H21ClN2O4S — CID 91941577

IUPACtert-butyl N-[4-[(4-chlorophenyl)sulfonylamino]but-2-enyl]carbamate
SMILESCC(C)(C)OC(=O)NCC=CCNS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H21ClN2O4S/c1-15(2,3)22-14(19)17-10-4-5-11-18-23(20,21)13-8-6-12(16)7-9-13/h4-9,18H,10-11H2,1-3H3,(H,17,19)
InChIKeyNXOKLMHJBSYERM-UHFFFAOYSA-N
MW360.86 g/mol
LogP2.70
Rot. Bonds6

About tert-butyl N-[4-[(4-chlorophenyl)sulfonylamino]but-2-enyl]carbamate

tert-butyl N-[4-[(4-chlorophenyl)sulfonylamino]but-2-enyl]carbamate (PubChem CID 91941577) has the molecular formula C15H21ClN2O4S and a molecular weight of 360.86 g/mol. Its IUPAC name is tert-butyl N-[4-[(4-chlorophenyl)sulfonylamino]but-2-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[(4-chlorophenyl)sulfonylamino]but-2-enyl]carbamate
PubChem CID91941577
Molecular FormulaC15H21ClN2O4S
Molecular Weight360.86 g/mol
Exact Mass360.09
IUPAC Nametert-butyl N-[4-[(4-chlorophenyl)sulfonylamino]but-2-enyl]carbamate
SMILESCC(C)(C)OC(=O)NCC=CCNS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H21ClN2O4S/c1-15(2,3)22-14(19)17-10-4-5-11-18-23(20,21)13-8-6-12(16)7-9-13/h4-9,18H,10-11H2,1-3H3,(H,17,19)
InChIKeyNXOKLMHJBSYERM-UHFFFAOYSA-N
XLogP2.70
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.86
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[3-(4-chloro-2-fluorophenyl)prop-2-enyl]carbamate
CID 169467051
tert-butyl N-[3-(5-chloro-2-hydroxyphenyl)prop-2-enyl]carbamate
CID 169467081
tert-butyl N-[3-(4-chloro-2-hydroxyphenyl)prop-2-enyl]carbamate
CID 169467082
tert-butyl N-[(E)-4-[(5-chloro-2-fluorophenyl)methylamino]but-2-enyl]carbamate
CID 107253184
tert-butyl N-[(E)-4-aminobut-2-enyl]carbamate
CID 18947920
tert-butyl N-[(E)-4-[(4-chloro-2-methylphenyl)methylamino]but-2-enyl]carbamate
CID 107299182
N-[(E)-3-(4-chlorophenyl)prop-2-enyl]-4-methylbenzenesulfonamide
CID 24755429
tert-butyl N-[3-(10-chloroanthracen-9-yl)prop-2-enyl]carbamate
CID 169468652
tert-butyl N-[3-(3-chloro-5-formylphenyl)prop-2-enyl]carbamate
CID 169467394
tert-butyl N-[(E)-4-(2-amino-4-sulfamoylanilino)but-2-enyl]carbamate
CID 176857876
tert-butyl N-[[4-(4-chlorophenyl)phenyl]methyl]carbamate
CID 52904827
tert-butyl N-[7-[(4-bromophenyl)sulfonylamino]heptyl]carbamate
CID 164863853

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[(4-chlorophenyl)sulfonylamino]but-2-enyl]carbamate?
The IUPAC name of tert-butyl N-[4-[(4-chlorophenyl)sulfonylamino]but-2-enyl]carbamate (CID 91941577) is tert-butyl N-[4-[(4-chlorophenyl)sulfonylamino]but-2-enyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[(4-chlorophenyl)sulfonylamino]but-2-enyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[(4-chlorophenyl)sulfonylamino]but-2-enyl]carbamate is CC(C)(C)OC(=O)NCC=CCNS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of tert-butyl N-[4-[(4-chlorophenyl)sulfonylamino]but-2-enyl]carbamate?
The InChIKey is NXOKLMHJBSYERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O4S/c1-15(2,3)22-14(19)17-10-4-5-11-18-23(20,21)13-8-6-12(16)7-9-13/h4-9,18H,10-11H2,1-3H3,(H,17,19).
What are the key properties of tert-butyl N-[4-[(4-chlorophenyl)sulfonylamino]but-2-enyl]carbamate?
tert-butyl N-[4-[(4-chlorophenyl)sulfonylamino]but-2-enyl]carbamate has a molecular weight of 360.86 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[(4-chlorophenyl)sulfonylamino]but-2-enyl]carbamate is sourced from PubChem (CID 91941577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).