N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-1-cyanocyclohexane-1-carboxamide

C22H24ClN3O3S — CID 60584101

IUPACN-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-1-cyanocyclohexane-1-carboxamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1cc(NC(=O)C2(C#N)CCCCC2)ccc1Cl
InChIInChI=1S/C22H24ClN3O3S/c1-2-26(18-9-5-3-6-10-18)30(28,29)20-15-17(11-12-19(20)23)25-21(27)22(16-24)13-7-4-8-14-22/h3,5-6,9-12,15H,2,4,7-8,13-14H2,1H3,(H,25,27)
InChIKeyXDDCLVLCXDVKPG-UHFFFAOYSA-N
MW445.97 g/mol
LogP4.97
Rot. Bonds6

About N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-1-cyanocyclohexane-1-carboxamide

N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-1-cyanocyclohexane-1-carboxamide (PubChem CID 60584101) has the molecular formula C22H24ClN3O3S and a molecular weight of 445.97 g/mol. Its IUPAC name is N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-1-cyanocyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-1-cyanocyclohexane-1-carboxamide
PubChem CID60584101
Molecular FormulaC22H24ClN3O3S
Molecular Weight445.97 g/mol
Exact Mass445.12
IUPAC NameN-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-1-cyanocyclohexane-1-carboxamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1cc(NC(=O)C2(C#N)CCCCC2)ccc1Cl
InChIInChI=1S/C22H24ClN3O3S/c1-2-26(18-9-5-3-6-10-18)30(28,29)20-15-17(11-12-19(20)23)25-21(27)22(16-24)13-7-4-8-14-22/h3,5-6,9-12,15H,2,4,7-8,13-14H2,1H3,(H,25,27)
InChIKeyXDDCLVLCXDVKPG-UHFFFAOYSA-N
XLogP4.97
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.97
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[4-chloro-3-[ethyl(phenyl)sulfamoyl]anilino]-2-oxoethyl]-dimethylazanium
CID 7870484
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CID 42992579
N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2-(2-nitrophenyl)acetamide
CID 35729144
N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2,5-difluorobenzamide
CID 43030093
2-chloro-N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]pyridine-3-carboxamide
CID 52893457
N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 112816128
N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-1-methyl-2-oxopyridine-4-carboxamide
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N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2-(2-fluorophenoxy)acetamide
CID 36589093
N-(3-chloro-4-methoxyphenyl)-1-cyanocyclohexane-1-carboxamide
CID 61458949
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CID 61458989
N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 55631238
N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2-(3-nitrophenoxy)acetamide
CID 55327646

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-1-cyanocyclohexane-1-carboxamide?
The IUPAC name of N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-1-cyanocyclohexane-1-carboxamide (CID 60584101) is N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-1-cyanocyclohexane-1-carboxamide.
What is the SMILES notation for N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-1-cyanocyclohexane-1-carboxamide?
The canonical SMILES for N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-1-cyanocyclohexane-1-carboxamide is CCN(c1ccccc1)S(=O)(=O)c1cc(NC(=O)C2(C#N)CCCCC2)ccc1Cl.
What is the InChIKey of N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-1-cyanocyclohexane-1-carboxamide?
The InChIKey is XDDCLVLCXDVKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O3S/c1-2-26(18-9-5-3-6-10-18)30(28,29)20-15-17(11-12-19(20)23)25-21(27)22(16-24)13-7-4-8-14-22/h3,5-6,9-12,15H,2,4,7-8,13-14H2,1H3,(H,25,27).
What are the key properties of N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-1-cyanocyclohexane-1-carboxamide?
N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-1-cyanocyclohexane-1-carboxamide has a molecular weight of 445.97 g/mol, XLogP of 4.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-1-cyanocyclohexane-1-carboxamide is sourced from PubChem (CID 60584101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).