N-(4-chlorophenyl)-4-(ethylsulfonylamino)benzenesulfonamide

C14H15ClN2O4S2 — CID 22202641

IUPACN-(4-chlorophenyl)-4-(ethylsulfonylamino)benzenesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H15ClN2O4S2/c1-2-22(18,19)16-12-7-9-14(10-8-12)23(20,21)17-13-5-3-11(15)4-6-13/h3-10,16-17H,2H2,1H3
InChIKeyJDQYSKJHDVCJMV-UHFFFAOYSA-N
MW374.87 g/mol
LogP2.90
Rot. Bonds6

About N-(4-chlorophenyl)-4-(ethylsulfonylamino)benzenesulfonamide

N-(4-chlorophenyl)-4-(ethylsulfonylamino)benzenesulfonamide (PubChem CID 22202641) has the molecular formula C14H15ClN2O4S2 and a molecular weight of 374.87 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-(ethylsulfonylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-(ethylsulfonylamino)benzenesulfonamide
PubChem CID22202641
Molecular FormulaC14H15ClN2O4S2
Molecular Weight374.87 g/mol
Exact Mass374.02
IUPAC NameN-(4-chlorophenyl)-4-(ethylsulfonylamino)benzenesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H15ClN2O4S2/c1-2-22(18,19)16-12-7-9-14(10-8-12)23(20,21)17-13-5-3-11(15)4-6-13/h3-10,16-17H,2H2,1H3
InChIKeyJDQYSKJHDVCJMV-UHFFFAOYSA-N
XLogP2.90
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-chlorophenyl)sulfonylamino]-N-ethylbenzenesulfonamide
CID 22203365
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzenesulfonamide
CID 3719852
4-chloro-N-(4-propylphenyl)benzenesulfonamide
CID 167013208
4-chloro-N-[4-(4-chlorophenoxy)phenyl]benzenesulfonamide
CID 5010043
N-[4-(butylamino)phenyl]-4-chlorobenzenesulfonamide
CID 112980277
4-(ethylsulfonylamino)-N-propan-2-ylbenzenesulfonamide
CID 60656130
4-chloro-N-[4-(chloromethyl)phenyl]benzenesulfonamide
CID 65031117
4-chloro-N-[4-(propan-2-ylamino)phenyl]benzenesulfonamide
CID 112979886
4-chloro-N-phenylbenzenesulfonamide;ethane
CID 91229233
4-chloro-N-(4-methoxyphenyl)benzenesulfonamide
CID 722849
N-(4-chlorophenyl)-4-(2-methylpropyl)benzenesulfonamide
CID 22773341
N-(4-butanoylphenyl)-4-chlorobenzenesulfonamide
CID 3727676

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-(ethylsulfonylamino)benzenesulfonamide?
The IUPAC name of N-(4-chlorophenyl)-4-(ethylsulfonylamino)benzenesulfonamide (CID 22202641) is N-(4-chlorophenyl)-4-(ethylsulfonylamino)benzenesulfonamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-(ethylsulfonylamino)benzenesulfonamide?
The canonical SMILES for N-(4-chlorophenyl)-4-(ethylsulfonylamino)benzenesulfonamide is CCS(=O)(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-(4-chlorophenyl)-4-(ethylsulfonylamino)benzenesulfonamide?
The InChIKey is JDQYSKJHDVCJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O4S2/c1-2-22(18,19)16-12-7-9-14(10-8-12)23(20,21)17-13-5-3-11(15)4-6-13/h3-10,16-17H,2H2,1H3.
What are the key properties of N-(4-chlorophenyl)-4-(ethylsulfonylamino)benzenesulfonamide?
N-(4-chlorophenyl)-4-(ethylsulfonylamino)benzenesulfonamide has a molecular weight of 374.87 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-(ethylsulfonylamino)benzenesulfonamide is sourced from PubChem (CID 22202641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).