5-(azepan-1-ylsulfonyl)-2-chloro-N-(2-ethyl-6-methylphenyl)benzamide

C22H27ClN2O3S — CID 28590817

IUPAC5-(azepan-1-ylsulfonyl)-2-chloro-N-(2-ethyl-6-methylphenyl)benzamide
SMILESCCc1cccc(C)c1NC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl
InChIInChI=1S/C22H27ClN2O3S/c1-3-17-10-8-9-16(2)21(17)24-22(26)19-15-18(11-12-20(19)23)29(27,28)25-13-6-4-5-7-14-25/h8-12,15H,3-7,13-14H2,1-2H3,(H,24,26)
InChIKeyJQQLYYLWEVMWPN-UHFFFAOYSA-N
MW434.99 g/mol
LogP5.03
Rot. Bonds5

About 5-(azepan-1-ylsulfonyl)-2-chloro-N-(2-ethyl-6-methylphenyl)benzamide

5-(azepan-1-ylsulfonyl)-2-chloro-N-(2-ethyl-6-methylphenyl)benzamide (PubChem CID 28590817) has the molecular formula C22H27ClN2O3S and a molecular weight of 434.99 g/mol. Its IUPAC name is 5-(azepan-1-ylsulfonyl)-2-chloro-N-(2-ethyl-6-methylphenyl)benzamide.

Molecular Properties

Compound Name5-(azepan-1-ylsulfonyl)-2-chloro-N-(2-ethyl-6-methylphenyl)benzamide
PubChem CID28590817
Molecular FormulaC22H27ClN2O3S
Molecular Weight434.99 g/mol
Exact Mass434.14
IUPAC Name5-(azepan-1-ylsulfonyl)-2-chloro-N-(2-ethyl-6-methylphenyl)benzamide
SMILESCCc1cccc(C)c1NC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl
InChIInChI=1S/C22H27ClN2O3S/c1-3-17-10-8-9-16(2)21(17)24-22(26)19-15-18(11-12-20(19)23)29(27,28)25-13-6-4-5-7-14-25/h8-12,15H,3-7,13-14H2,1-2H3,(H,24,26)
InChIKeyJQQLYYLWEVMWPN-UHFFFAOYSA-N
XLogP5.03
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.99
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethyl-6-methylphenyl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 7900185
N-(2,6-diethylphenyl)-2-methyl-5-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 99968900
N-(2-ethylphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 8839499
N-(2,6-diethylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 26880556
2-chloro-N-(3-methylphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 9341600
5-(azepan-1-ylsulfonyl)-2-chloro-N-propylbenzamide
CID 28590823
2-chloro-N-(2-ethyl-6-methylphenyl)-5-(methanesulfonamido)benzamide
CID 46770786
N-(2-ethyl-6-methylphenyl)-5-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 53066371
5-(azepan-1-ylsulfonyl)-2-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 28590332
N-(2,6-dichlorophenyl)-2-methoxy-5-pyrrolidin-1-ylsulfonylbenzamide
CID 28590971
N-(2,6-diethylphenyl)-5-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-2-fluorobenzamide
CID 4279992
2-chloro-N-(3-methoxyphenyl)-5-piperidin-1-ylsulfonylbenzamide
CID 26914652

Frequently Asked Questions

What is the IUPAC name of 5-(azepan-1-ylsulfonyl)-2-chloro-N-(2-ethyl-6-methylphenyl)benzamide?
The IUPAC name of 5-(azepan-1-ylsulfonyl)-2-chloro-N-(2-ethyl-6-methylphenyl)benzamide (CID 28590817) is 5-(azepan-1-ylsulfonyl)-2-chloro-N-(2-ethyl-6-methylphenyl)benzamide.
What is the SMILES notation for 5-(azepan-1-ylsulfonyl)-2-chloro-N-(2-ethyl-6-methylphenyl)benzamide?
The canonical SMILES for 5-(azepan-1-ylsulfonyl)-2-chloro-N-(2-ethyl-6-methylphenyl)benzamide is CCc1cccc(C)c1NC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl.
What is the InChIKey of 5-(azepan-1-ylsulfonyl)-2-chloro-N-(2-ethyl-6-methylphenyl)benzamide?
The InChIKey is JQQLYYLWEVMWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O3S/c1-3-17-10-8-9-16(2)21(17)24-22(26)19-15-18(11-12-20(19)23)29(27,28)25-13-6-4-5-7-14-25/h8-12,15H,3-7,13-14H2,1-2H3,(H,24,26).
What are the key properties of 5-(azepan-1-ylsulfonyl)-2-chloro-N-(2-ethyl-6-methylphenyl)benzamide?
5-(azepan-1-ylsulfonyl)-2-chloro-N-(2-ethyl-6-methylphenyl)benzamide has a molecular weight of 434.99 g/mol, XLogP of 5.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azepan-1-ylsulfonyl)-2-chloro-N-(2-ethyl-6-methylphenyl)benzamide is sourced from PubChem (CID 28590817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).