N-[4-[(4-tert-butyl-2-chlorophenyl)sulfamoyl]-2-chlorophenyl]acetamide

C18H20Cl2N2O3S — CID 3817725

IUPACN-[4-[(4-tert-butyl-2-chlorophenyl)sulfamoyl]-2-chlorophenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C(C)(C)C)cc2Cl)cc1Cl
InChIInChI=1S/C18H20Cl2N2O3S/c1-11(23)21-16-8-6-13(10-15(16)20)26(24,25)22-17-7-5-12(9-14(17)19)18(2,3)4/h5-10,22H,1-4H3,(H,21,23)
InChIKeyCUGQLRAHJFWXGU-UHFFFAOYSA-N
MW415.34 g/mol
LogP5.05
Rot. Bonds4

About N-[4-[(4-tert-butyl-2-chlorophenyl)sulfamoyl]-2-chlorophenyl]acetamide

N-[4-[(4-tert-butyl-2-chlorophenyl)sulfamoyl]-2-chlorophenyl]acetamide (PubChem CID 3817725) has the molecular formula C18H20Cl2N2O3S and a molecular weight of 415.34 g/mol. Its IUPAC name is N-[4-[(4-tert-butyl-2-chlorophenyl)sulfamoyl]-2-chlorophenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(4-tert-butyl-2-chlorophenyl)sulfamoyl]-2-chlorophenyl]acetamide
PubChem CID3817725
Molecular FormulaC18H20Cl2N2O3S
Molecular Weight415.34 g/mol
Exact Mass414.06
IUPAC NameN-[4-[(4-tert-butyl-2-chlorophenyl)sulfamoyl]-2-chlorophenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C(C)(C)C)cc2Cl)cc1Cl
InChIInChI=1S/C18H20Cl2N2O3S/c1-11(23)21-16-8-6-13(10-15(16)20)26(24,25)22-17-7-5-12(9-14(17)19)18(2,3)4/h5-10,22H,1-4H3,(H,21,23)
InChIKeyCUGQLRAHJFWXGU-UHFFFAOYSA-N
XLogP5.05
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.34
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-acetamido-3-chlorophenyl)sulfonylamino]-4-methylbenzoic acid
CID 25047152
N-[2-chloro-4-[(5-chloro-2-methoxyphenyl)sulfamoyl]phenyl]acetamide
CID 25042468
N-[2-chloro-4-[(3,5-dimethoxyphenyl)sulfamoyl]phenyl]acetamide
CID 25043861
N-[2-chloro-4-(cyclopentylsulfamoyl)phenyl]acetamide
CID 5178972
N-[2-[(4-chloro-3-methylphenyl)sulfonylamino]phenyl]acetamide
CID 113093718
N-[2-[(4-chloro-3-methylphenyl)sulfonylamino]-4-fluorophenyl]acetamide
CID 113093031
N-(4-tert-butyl-2-chlorophenyl)-2,2,2-trichloroacetamide
CID 2781894
N-[2-chloro-4-(3-ethylpent-1-yn-3-ylsulfamoyl)phenyl]acetamide
CID 25048781
N-[4-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]-2-chlorophenyl]acetamide
CID 3781466
N-[5-[(2-chloro-4-fluorophenyl)sulfamoyl]-2-methoxyphenyl]acetamide
CID 7514301
5-[(4-tert-butylphenyl)sulfonylamino]-2,4-dichlorobenzamide
CID 2856958
N-[2-chloro-4-(cyclopropylmethylsulfamoyl)phenyl]acetamide
CID 25038635

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-tert-butyl-2-chlorophenyl)sulfamoyl]-2-chlorophenyl]acetamide?
The IUPAC name of N-[4-[(4-tert-butyl-2-chlorophenyl)sulfamoyl]-2-chlorophenyl]acetamide (CID 3817725) is N-[4-[(4-tert-butyl-2-chlorophenyl)sulfamoyl]-2-chlorophenyl]acetamide.
What is the SMILES notation for N-[4-[(4-tert-butyl-2-chlorophenyl)sulfamoyl]-2-chlorophenyl]acetamide?
The canonical SMILES for N-[4-[(4-tert-butyl-2-chlorophenyl)sulfamoyl]-2-chlorophenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C(C)(C)C)cc2Cl)cc1Cl.
What is the InChIKey of N-[4-[(4-tert-butyl-2-chlorophenyl)sulfamoyl]-2-chlorophenyl]acetamide?
The InChIKey is CUGQLRAHJFWXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2O3S/c1-11(23)21-16-8-6-13(10-15(16)20)26(24,25)22-17-7-5-12(9-14(17)19)18(2,3)4/h5-10,22H,1-4H3,(H,21,23).
What are the key properties of N-[4-[(4-tert-butyl-2-chlorophenyl)sulfamoyl]-2-chlorophenyl]acetamide?
N-[4-[(4-tert-butyl-2-chlorophenyl)sulfamoyl]-2-chlorophenyl]acetamide has a molecular weight of 415.34 g/mol, XLogP of 5.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-tert-butyl-2-chlorophenyl)sulfamoyl]-2-chlorophenyl]acetamide is sourced from PubChem (CID 3817725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).