2-(4-chlorophenyl)sulfonylethylcarbamic acid

C9H10ClNO4S — CID 54308728

IUPAC2-(4-chlorophenyl)sulfonylethylcarbamic acid
SMILESO=C(O)NCCS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C9H10ClNO4S/c10-7-1-3-8(4-2-7)16(14,15)6-5-11-9(12)13/h1-4,11H,5-6H2,(H,12,13)
InChIKeySJJDWAODVMOORW-UHFFFAOYSA-N
MW263.70 g/mol
LogP1.38
Rot. Bonds4

About 2-(4-chlorophenyl)sulfonylethylcarbamic acid

2-(4-chlorophenyl)sulfonylethylcarbamic acid (PubChem CID 54308728) has the molecular formula C9H10ClNO4S and a molecular weight of 263.70 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfonylethylcarbamic acid.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfonylethylcarbamic acid
PubChem CID54308728
Molecular FormulaC9H10ClNO4S
Molecular Weight263.70 g/mol
Exact Mass263.00
IUPAC Name2-(4-chlorophenyl)sulfonylethylcarbamic acid
SMILESO=C(O)NCCS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C9H10ClNO4S/c10-7-1-3-8(4-2-7)16(14,15)6-5-11-9(12)13/h1-4,11H,5-6H2,(H,12,13)
InChIKeySJJDWAODVMOORW-UHFFFAOYSA-N
XLogP1.38
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.70
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(benzenesulfonyl)ethyl]-2-(4-chlorophenyl)sulfonylacetamide
CID 2765509
3-amino-N-[2-(4-chlorophenyl)sulfonylethyl]propanamide;hydrochloride
CID 119290585
4-amino-N-[2-(4-chlorophenyl)sulfonylethyl]butanamide
CID 119290606
N-[2-(4-chlorophenyl)sulfonylethyl]but-2-ynamide
CID 166403313
N-[2-(4-chlorophenyl)sulfonylethyl]azetidine-1-carboxamide
CID 132968648
3-(4-chlorophenyl)sulfonylbut-3-enylcarbamic acid
CID 146198405
N-[2-(4-chlorophenyl)sulfonylethyl]-1,5-dimethylpyrazole-4-carboxamide
CID 51092425
4-amino-N-[2-(4-chlorophenyl)sulfonylethyl]pentanamide;hydrochloride
CID 120560399
N-[2-(4-chlorophenyl)sulfonylethyl]piperidine-4-carboxamide
CID 119290590
(2S)-N-[2-(4-chlorophenyl)sulfonylethyl]-2-(4-fluorophenyl)sulfonylpropanamide
CID 95348488
1-chloro-4-[4-(4-chlorophenyl)sulfonylbutylsulfonyl]benzene
CID 5128073
N-[2-(4-chlorophenyl)sulfonylethyl]-2-pyrazol-1-ylacetamide
CID 51091918

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfonylethylcarbamic acid?
The IUPAC name of 2-(4-chlorophenyl)sulfonylethylcarbamic acid (CID 54308728) is 2-(4-chlorophenyl)sulfonylethylcarbamic acid.
What is the SMILES notation for 2-(4-chlorophenyl)sulfonylethylcarbamic acid?
The canonical SMILES for 2-(4-chlorophenyl)sulfonylethylcarbamic acid is O=C(O)NCCS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfonylethylcarbamic acid?
The InChIKey is SJJDWAODVMOORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO4S/c10-7-1-3-8(4-2-7)16(14,15)6-5-11-9(12)13/h1-4,11H,5-6H2,(H,12,13).
What are the key properties of 2-(4-chlorophenyl)sulfonylethylcarbamic acid?
2-(4-chlorophenyl)sulfonylethylcarbamic acid has a molecular weight of 263.70 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfonylethylcarbamic acid is sourced from PubChem (CID 54308728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).