1-(5-chlorothiophen-2-yl)sulfonyl-3-propylurea

C8H11ClN2O3S2 — CID 134117146

IUPAC1-(5-chlorothiophen-2-yl)sulfonyl-3-propylurea
SMILESCCCNC(=O)NS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C8H11ClN2O3S2/c1-2-5-10-8(12)11-16(13,14)7-4-3-6(9)15-7/h3-4H,2,5H2,1H3,(H2,10,11,12)
InChIKeyMMZRARACZNYPFX-UHFFFAOYSA-N
MW282.77 g/mol
LogP1.80
Rot. Bonds4

About 1-(5-chlorothiophen-2-yl)sulfonyl-3-propylurea

1-(5-chlorothiophen-2-yl)sulfonyl-3-propylurea (PubChem CID 134117146) has the molecular formula C8H11ClN2O3S2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)sulfonyl-3-propylurea.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)sulfonyl-3-propylurea
PubChem CID134117146
Molecular FormulaC8H11ClN2O3S2
Molecular Weight282.77 g/mol
Exact Mass281.99
IUPAC Name1-(5-chlorothiophen-2-yl)sulfonyl-3-propylurea
SMILESCCCNC(=O)NS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C8H11ClN2O3S2/c1-2-5-10-8(12)11-16(13,14)7-4-3-6(9)15-7/h3-4H,2,5H2,1H3,(H2,10,11,12)
InChIKeyMMZRARACZNYPFX-UHFFFAOYSA-N
XLogP1.80
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chlorothiophen-2-yl)sulfonyl-2-methylpropanamide
CID 47108883
2-amino-N-(5-chlorothiophen-2-yl)sulfonylacetamide
CID 68844992
5-chloro-N-heptylthiophene-2-sulfonamide
CID 19681281
N'-(5-chlorothiophen-2-yl)sulfonylacetohydrazide
CID 8500723
1-(2-iodophenyl)sulfonyl-3-propylurea
CID 18987809
2-(4-bromophenyl)-N-(5-chlorothiophen-2-yl)sulfonylacetamide
CID 47108955
2-[(5-chlorothiophen-2-yl)sulfonylamino]oxyacetic acid
CID 60661310
1-(5-chlorothiophen-2-yl)sulfonyl-3-prop-2-enylthiourea
CID 2141687
5-chloro-N-[2-(dibutylamino)ethyl]thiophene-2-sulfonamide
CID 4996654
2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-methylpentanamide
CID 78786909
methyl N-[(5-chlorothiophen-2-yl)sulfonylamino]carbamate
CID 8501031
N-[2-[(5-chlorothiophen-2-yl)sulfonylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 51119320

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-3-propylurea?
The IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-3-propylurea (CID 134117146) is 1-(5-chlorothiophen-2-yl)sulfonyl-3-propylurea.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)sulfonyl-3-propylurea?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)sulfonyl-3-propylurea is CCCNC(=O)NS(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)sulfonyl-3-propylurea?
The InChIKey is MMZRARACZNYPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O3S2/c1-2-5-10-8(12)11-16(13,14)7-4-3-6(9)15-7/h3-4H,2,5H2,1H3,(H2,10,11,12).
What are the key properties of 1-(5-chlorothiophen-2-yl)sulfonyl-3-propylurea?
1-(5-chlorothiophen-2-yl)sulfonyl-3-propylurea has a molecular weight of 282.77 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)sulfonyl-3-propylurea is sourced from PubChem (CID 134117146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).