4-chloro-3-(cyclopropylsulfamoyl)-N-ethyl-N-(thiophen-2-ylmethyl)benzamide

C17H19ClN2O3S2 — CID 18163436

IUPAC4-chloro-3-(cyclopropylsulfamoyl)-N-ethyl-N-(thiophen-2-ylmethyl)benzamide
SMILESCCN(Cc1cccs1)C(=O)c1ccc(Cl)c(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C17H19ClN2O3S2/c1-2-20(11-14-4-3-9-24-14)17(21)12-5-8-15(18)16(10-12)25(22,23)19-13-6-7-13/h3-5,8-10,13,19H,2,6-7,11H2,1H3
InChIKeyPUBFUOBJBNDIKG-UHFFFAOYSA-N
MW398.94 g/mol
LogP3.50
Rot. Bonds7

About 4-chloro-3-(cyclopropylsulfamoyl)-N-ethyl-N-(thiophen-2-ylmethyl)benzamide

4-chloro-3-(cyclopropylsulfamoyl)-N-ethyl-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 18163436) has the molecular formula C17H19ClN2O3S2 and a molecular weight of 398.94 g/mol. Its IUPAC name is 4-chloro-3-(cyclopropylsulfamoyl)-N-ethyl-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-chloro-3-(cyclopropylsulfamoyl)-N-ethyl-N-(thiophen-2-ylmethyl)benzamide
PubChem CID18163436
Molecular FormulaC17H19ClN2O3S2
Molecular Weight398.94 g/mol
Exact Mass398.05
IUPAC Name4-chloro-3-(cyclopropylsulfamoyl)-N-ethyl-N-(thiophen-2-ylmethyl)benzamide
SMILESCCN(Cc1cccs1)C(=O)c1ccc(Cl)c(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C17H19ClN2O3S2/c1-2-20(11-14-4-3-9-24-14)17(21)12-5-8-15(18)16(10-12)25(22,23)19-13-6-7-13/h3-5,8-10,13,19H,2,6-7,11H2,1H3
InChIKeyPUBFUOBJBNDIKG-UHFFFAOYSA-N
XLogP3.50
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.94
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(cyclopropylsulfamoyl)-N-ethyl-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 4-chloro-3-(cyclopropylsulfamoyl)-N-ethyl-N-(thiophen-2-ylmethyl)benzamide (CID 18163436) is 4-chloro-3-(cyclopropylsulfamoyl)-N-ethyl-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 4-chloro-3-(cyclopropylsulfamoyl)-N-ethyl-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 4-chloro-3-(cyclopropylsulfamoyl)-N-ethyl-N-(thiophen-2-ylmethyl)benzamide is CCN(Cc1cccs1)C(=O)c1ccc(Cl)c(S(=O)(=O)NC2CC2)c1.
What is the InChIKey of 4-chloro-3-(cyclopropylsulfamoyl)-N-ethyl-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is PUBFUOBJBNDIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3S2/c1-2-20(11-14-4-3-9-24-14)17(21)12-5-8-15(18)16(10-12)25(22,23)19-13-6-7-13/h3-5,8-10,13,19H,2,6-7,11H2,1H3.
What are the key properties of 4-chloro-3-(cyclopropylsulfamoyl)-N-ethyl-N-(thiophen-2-ylmethyl)benzamide?
4-chloro-3-(cyclopropylsulfamoyl)-N-ethyl-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 398.94 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(cyclopropylsulfamoyl)-N-ethyl-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 18163436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).