N-[4-[bis(2-cyanoethyl)sulfamoyl]-2-chlorophenyl]acetamide

C14H15ClN4O3S — CID 3504516

IUPACN-[4-[bis(2-cyanoethyl)sulfamoyl]-2-chlorophenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(CCC#N)CCC#N)cc1Cl
InChIInChI=1S/C14H15ClN4O3S/c1-11(20)18-14-5-4-12(10-13(14)15)23(21,22)19(8-2-6-16)9-3-7-17/h4-5,10H,2-3,8-9H2,1H3,(H,18,20)
InChIKeyFXOBITSIMHCWDU-UHFFFAOYSA-N
MW354.82 g/mol
LogP2.12
Rot. Bonds7

About N-[4-[bis(2-cyanoethyl)sulfamoyl]-2-chlorophenyl]acetamide

N-[4-[bis(2-cyanoethyl)sulfamoyl]-2-chlorophenyl]acetamide (PubChem CID 3504516) has the molecular formula C14H15ClN4O3S and a molecular weight of 354.82 g/mol. Its IUPAC name is N-[4-[bis(2-cyanoethyl)sulfamoyl]-2-chlorophenyl]acetamide.

Molecular Properties

Compound NameN-[4-[bis(2-cyanoethyl)sulfamoyl]-2-chlorophenyl]acetamide
PubChem CID3504516
Molecular FormulaC14H15ClN4O3S
Molecular Weight354.82 g/mol
Exact Mass354.06
IUPAC NameN-[4-[bis(2-cyanoethyl)sulfamoyl]-2-chlorophenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(CCC#N)CCC#N)cc1Cl
InChIInChI=1S/C14H15ClN4O3S/c1-11(20)18-14-5-4-12(10-13(14)15)23(21,22)19(8-2-6-16)9-3-7-17/h4-5,10H,2-3,8-9H2,1H3,(H,18,20)
InChIKeyFXOBITSIMHCWDU-UHFFFAOYSA-N
XLogP2.12
TPSA114.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.82
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-chloro-4-[2-cyanoethyl(oxolan-2-ylmethyl)sulfamoyl]phenyl]acetamide
CID 3783296
N-[2-chloro-4-(2-cyanoethylsulfamoyl)phenyl]acetamide
CID 3465665
N-[2-chloro-4-[2-methoxyethyl(propyl)sulfamoyl]phenyl]acetamide
CID 3684242
4-chloro-N,N-bis(2-cyanoethyl)-3-nitrobenzenesulfonamide
CID 2777388
3-chloro-N,N-bis(2-cyanoethyl)benzenesulfonamide
CID 3731501
N-[2-chloro-4-[methyl(pent-4-enyl)sulfamoyl]phenyl]acetamide
CID 71980428
4-chloro-N-(2-cyanoethyl)-N,3-dimethylbenzenesulfonamide
CID 39371978
N-(4-acetamido-3-methylphenyl)-2-chloro-5-(diethylsulfamoyl)benzamide
CID 46550803
3-amino-N-(2-cyanoethyl)-N-ethyl-4-hydroxybenzenesulfonamide
CID 61138706
4-amino-N,N-bis(2-cyanoethyl)-3-methoxybenzenesulfonamide
CID 81440816
N-[2-chloro-4-(3-ethylpent-1-yn-3-ylsulfamoyl)phenyl]acetamide
CID 25048781
4-[bis(2-cyanoethyl)sulfamoyl]-N-(4,6-dichloro-1,3-benzothiazol-2-yl)benzamide
CID 4085392

Frequently Asked Questions

What is the IUPAC name of N-[4-[bis(2-cyanoethyl)sulfamoyl]-2-chlorophenyl]acetamide?
The IUPAC name of N-[4-[bis(2-cyanoethyl)sulfamoyl]-2-chlorophenyl]acetamide (CID 3504516) is N-[4-[bis(2-cyanoethyl)sulfamoyl]-2-chlorophenyl]acetamide.
What is the SMILES notation for N-[4-[bis(2-cyanoethyl)sulfamoyl]-2-chlorophenyl]acetamide?
The canonical SMILES for N-[4-[bis(2-cyanoethyl)sulfamoyl]-2-chlorophenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N(CCC#N)CCC#N)cc1Cl.
What is the InChIKey of N-[4-[bis(2-cyanoethyl)sulfamoyl]-2-chlorophenyl]acetamide?
The InChIKey is FXOBITSIMHCWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O3S/c1-11(20)18-14-5-4-12(10-13(14)15)23(21,22)19(8-2-6-16)9-3-7-17/h4-5,10H,2-3,8-9H2,1H3,(H,18,20).
What are the key properties of N-[4-[bis(2-cyanoethyl)sulfamoyl]-2-chlorophenyl]acetamide?
N-[4-[bis(2-cyanoethyl)sulfamoyl]-2-chlorophenyl]acetamide has a molecular weight of 354.82 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[bis(2-cyanoethyl)sulfamoyl]-2-chlorophenyl]acetamide is sourced from PubChem (CID 3504516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).