2-chloro-N-[(1S)-1-cyclopropylethyl]-5-[ethyl(phenyl)sulfamoyl]benzamide

C20H23ClN2O3S — CID 8855582

IUPAC2-chloro-N-[(1S)-1-cyclopropylethyl]-5-[ethyl(phenyl)sulfamoyl]benzamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H](C)C2CC2)c1
InChIInChI=1S/C20H23ClN2O3S/c1-3-23(16-7-5-4-6-8-16)27(25,26)17-11-12-19(21)18(13-17)20(24)22-14(2)15-9-10-15/h4-8,11-15H,3,9-10H2,1-2H3,(H,22,24)/t14-/m0/s1
InChIKeyQKLHLANJDPKHQR-AWEZNQCLSA-N
MW406.94 g/mol
LogP4.08
Rot. Bonds7

About 2-chloro-N-[(1S)-1-cyclopropylethyl]-5-[ethyl(phenyl)sulfamoyl]benzamide

2-chloro-N-[(1S)-1-cyclopropylethyl]-5-[ethyl(phenyl)sulfamoyl]benzamide (PubChem CID 8855582) has the molecular formula C20H23ClN2O3S and a molecular weight of 406.94 g/mol. Its IUPAC name is 2-chloro-N-[(1S)-1-cyclopropylethyl]-5-[ethyl(phenyl)sulfamoyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(1S)-1-cyclopropylethyl]-5-[ethyl(phenyl)sulfamoyl]benzamide
PubChem CID8855582
Molecular FormulaC20H23ClN2O3S
Molecular Weight406.94 g/mol
Exact Mass406.11
IUPAC Name2-chloro-N-[(1S)-1-cyclopropylethyl]-5-[ethyl(phenyl)sulfamoyl]benzamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H](C)C2CC2)c1
InChIInChI=1S/C20H23ClN2O3S/c1-3-23(16-7-5-4-6-8-16)27(25,26)17-11-12-19(21)18(13-17)20(24)22-14(2)15-9-10-15/h4-8,11-15H,3,9-10H2,1-2H3,(H,22,24)/t14-/m0/s1
InChIKeyQKLHLANJDPKHQR-AWEZNQCLSA-N
XLogP4.08
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.94
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1S)-1-cyclopropylethyl]-5-[ethyl(phenyl)sulfamoyl]benzamide?
The IUPAC name of 2-chloro-N-[(1S)-1-cyclopropylethyl]-5-[ethyl(phenyl)sulfamoyl]benzamide (CID 8855582) is 2-chloro-N-[(1S)-1-cyclopropylethyl]-5-[ethyl(phenyl)sulfamoyl]benzamide.
What is the SMILES notation for 2-chloro-N-[(1S)-1-cyclopropylethyl]-5-[ethyl(phenyl)sulfamoyl]benzamide?
The canonical SMILES for 2-chloro-N-[(1S)-1-cyclopropylethyl]-5-[ethyl(phenyl)sulfamoyl]benzamide is CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H](C)C2CC2)c1.
What is the InChIKey of 2-chloro-N-[(1S)-1-cyclopropylethyl]-5-[ethyl(phenyl)sulfamoyl]benzamide?
The InChIKey is QKLHLANJDPKHQR-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H23ClN2O3S/c1-3-23(16-7-5-4-6-8-16)27(25,26)17-11-12-19(21)18(13-17)20(24)22-14(2)15-9-10-15/h4-8,11-15H,3,9-10H2,1-2H3,(H,22,24)/t14-/m0/s1.
What are the key properties of 2-chloro-N-[(1S)-1-cyclopropylethyl]-5-[ethyl(phenyl)sulfamoyl]benzamide?
2-chloro-N-[(1S)-1-cyclopropylethyl]-5-[ethyl(phenyl)sulfamoyl]benzamide has a molecular weight of 406.94 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1S)-1-cyclopropylethyl]-5-[ethyl(phenyl)sulfamoyl]benzamide is sourced from PubChem (CID 8855582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).