2,4-dichloro-N-cyclohexyl-5-(cyclopropylsulfamoyl)-N-methylbenzamide

C17H22Cl2N2O3S — CID 19257581

IUPAC2,4-dichloro-N-cyclohexyl-5-(cyclopropylsulfamoyl)-N-methylbenzamide
SMILESCN(C(=O)c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl)C1CCCCC1
InChIInChI=1S/C17H22Cl2N2O3S/c1-21(12-5-3-2-4-6-12)17(22)13-9-16(15(19)10-14(13)18)25(23,24)20-11-7-8-11/h9-12,20H,2-8H2,1H3
InChIKeyPBNPOMLBGHDXND-UHFFFAOYSA-N
MW405.35 g/mol
LogP3.84
Rot. Bonds5

About 2,4-dichloro-N-cyclohexyl-5-(cyclopropylsulfamoyl)-N-methylbenzamide

2,4-dichloro-N-cyclohexyl-5-(cyclopropylsulfamoyl)-N-methylbenzamide (PubChem CID 19257581) has the molecular formula C17H22Cl2N2O3S and a molecular weight of 405.35 g/mol. Its IUPAC name is 2,4-dichloro-N-cyclohexyl-5-(cyclopropylsulfamoyl)-N-methylbenzamide.

Molecular Properties

Compound Name2,4-dichloro-N-cyclohexyl-5-(cyclopropylsulfamoyl)-N-methylbenzamide
PubChem CID19257581
Molecular FormulaC17H22Cl2N2O3S
Molecular Weight405.35 g/mol
Exact Mass404.07
IUPAC Name2,4-dichloro-N-cyclohexyl-5-(cyclopropylsulfamoyl)-N-methylbenzamide
SMILESCN(C(=O)c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl)C1CCCCC1
InChIInChI=1S/C17H22Cl2N2O3S/c1-21(12-5-3-2-4-6-12)17(22)13-9-16(15(19)10-14(13)18)25(23,24)20-11-7-8-11/h9-12,20H,2-8H2,1H3
InChIKeyPBNPOMLBGHDXND-UHFFFAOYSA-N
XLogP3.84
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.35
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dichloro-N-cycloheptyl-N-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 55468764
2,4-dichloro-N-cyclohexyl-N-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 2336712
propan-2-yl 2,4-dichloro-5-(cyclopropylsulfamoyl)benzoate
CID 46574592
2,4-dichloro-N-methyl-5-methylsulfonyl-N-piperidin-4-ylbenzamide
CID 154759790
2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[2-(diethylamino)ethyl]benzamide
CID 19257534
2,4-dichloro-5-(cyclopropylsulfamoyl)-N-pentylbenzamide
CID 46665692
2,4-dichloro-5-(cyclohexylsulfamoyl)-N-phenylbenzamide
CID 1356387
N-(4-acetamidophenyl)-2,4-dichloro-5-(cyclopropylsulfamoyl)benzamide
CID 19257569
2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[2-(2-methoxyphenoxy)ethyl]-N-methylbenzamide
CID 55948179
propan-2-yl 2-[[2,4-dichloro-5-(cyclopropylsulfamoyl)benzoyl]amino]acetate
CID 56543666
N-(1,3-benzothiazol-2-ylmethyl)-2,4-dichloro-5-(cyclopropylsulfamoyl)-N-methylbenzamide
CID 55389438
2,4-dichloro-5-(cyclopentylsulfamoyl)-N-(4-methoxyphenyl)benzamide
CID 19257437

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-cyclohexyl-5-(cyclopropylsulfamoyl)-N-methylbenzamide?
The IUPAC name of 2,4-dichloro-N-cyclohexyl-5-(cyclopropylsulfamoyl)-N-methylbenzamide (CID 19257581) is 2,4-dichloro-N-cyclohexyl-5-(cyclopropylsulfamoyl)-N-methylbenzamide.
What is the SMILES notation for 2,4-dichloro-N-cyclohexyl-5-(cyclopropylsulfamoyl)-N-methylbenzamide?
The canonical SMILES for 2,4-dichloro-N-cyclohexyl-5-(cyclopropylsulfamoyl)-N-methylbenzamide is CN(C(=O)c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl)C1CCCCC1.
What is the InChIKey of 2,4-dichloro-N-cyclohexyl-5-(cyclopropylsulfamoyl)-N-methylbenzamide?
The InChIKey is PBNPOMLBGHDXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22Cl2N2O3S/c1-21(12-5-3-2-4-6-12)17(22)13-9-16(15(19)10-14(13)18)25(23,24)20-11-7-8-11/h9-12,20H,2-8H2,1H3.
What are the key properties of 2,4-dichloro-N-cyclohexyl-5-(cyclopropylsulfamoyl)-N-methylbenzamide?
2,4-dichloro-N-cyclohexyl-5-(cyclopropylsulfamoyl)-N-methylbenzamide has a molecular weight of 405.35 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-cyclohexyl-5-(cyclopropylsulfamoyl)-N-methylbenzamide is sourced from PubChem (CID 19257581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).