prop-1-en-2-yl N-[2-[(4-bromophenyl)sulfonylamino]ethyl]carbamate

C12H15BrN2O4S — CID 89104122

IUPACprop-1-en-2-yl N-[2-[(4-bromophenyl)sulfonylamino]ethyl]carbamate
SMILESC=C(C)OC(=O)NCCNS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C12H15BrN2O4S/c1-9(2)19-12(16)14-7-8-15-20(17,18)11-5-3-10(13)4-6-11/h3-6,15H,1,7-8H2,2H3,(H,14,16)
InChIKeySDCBKTWZEUVPLY-UHFFFAOYSA-N
MW363.23 g/mol
LogP1.99
Rot. Bonds6

About prop-1-en-2-yl N-[2-[(4-bromophenyl)sulfonylamino]ethyl]carbamate

prop-1-en-2-yl N-[2-[(4-bromophenyl)sulfonylamino]ethyl]carbamate (PubChem CID 89104122) has the molecular formula C12H15BrN2O4S and a molecular weight of 363.23 g/mol. Its IUPAC name is prop-1-en-2-yl N-[2-[(4-bromophenyl)sulfonylamino]ethyl]carbamate.

Molecular Properties

Compound Nameprop-1-en-2-yl N-[2-[(4-bromophenyl)sulfonylamino]ethyl]carbamate
PubChem CID89104122
Molecular FormulaC12H15BrN2O4S
Molecular Weight363.23 g/mol
Exact Mass361.99
IUPAC Nameprop-1-en-2-yl N-[2-[(4-bromophenyl)sulfonylamino]ethyl]carbamate
SMILESC=C(C)OC(=O)NCCNS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C12H15BrN2O4S/c1-9(2)19-12(16)14-7-8-15-20(17,18)11-5-3-10(13)4-6-11/h3-6,15H,1,7-8H2,2H3,(H,14,16)
InChIKeySDCBKTWZEUVPLY-UHFFFAOYSA-N
XLogP1.99
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.23
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(4-bromophenyl)sulfonylamino]ethyl]propanamide
CID 108574108
2-[(4-bromophenyl)sulfonylamino]ethylcarbamic acid
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tert-butyl N-[7-[(4-bromophenyl)sulfonylamino]heptyl]carbamate
CID 164863853
4-bromo-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 114616540
N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide
CID 31836630
N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-2-(4-ethoxyphenyl)acetamide
CID 108573109
N-[2-[(4-bromophenyl)sulfonylamino]ethyl]cyclohexanecarboxamide
CID 108571108
4-bromo-N-[8-[(4-bromophenyl)sulfonylamino]octyl]benzenesulfonamide
CID 3544635
methyl 2-[(4-bromophenyl)sulfonylamino]acetate
CID 669307
N-[2-[(4-methylsulfonylphenyl)sulfonylamino]ethyl]acetamide
CID 110759438
propylcarbamoyl 4-bromobenzenesulfonate
CID 146272473
4-bromo-N-(3-methoxypropyl)benzenesulfonamide
CID 4619228

Frequently Asked Questions

What is the IUPAC name of prop-1-en-2-yl N-[2-[(4-bromophenyl)sulfonylamino]ethyl]carbamate?
The IUPAC name of prop-1-en-2-yl N-[2-[(4-bromophenyl)sulfonylamino]ethyl]carbamate (CID 89104122) is prop-1-en-2-yl N-[2-[(4-bromophenyl)sulfonylamino]ethyl]carbamate.
What is the SMILES notation for prop-1-en-2-yl N-[2-[(4-bromophenyl)sulfonylamino]ethyl]carbamate?
The canonical SMILES for prop-1-en-2-yl N-[2-[(4-bromophenyl)sulfonylamino]ethyl]carbamate is C=C(C)OC(=O)NCCNS(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of prop-1-en-2-yl N-[2-[(4-bromophenyl)sulfonylamino]ethyl]carbamate?
The InChIKey is SDCBKTWZEUVPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O4S/c1-9(2)19-12(16)14-7-8-15-20(17,18)11-5-3-10(13)4-6-11/h3-6,15H,1,7-8H2,2H3,(H,14,16).
What are the key properties of prop-1-en-2-yl N-[2-[(4-bromophenyl)sulfonylamino]ethyl]carbamate?
prop-1-en-2-yl N-[2-[(4-bromophenyl)sulfonylamino]ethyl]carbamate has a molecular weight of 363.23 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-1-en-2-yl N-[2-[(4-bromophenyl)sulfonylamino]ethyl]carbamate is sourced from PubChem (CID 89104122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).