N-[4-(tert-butylcarbamoyl)phenyl]-4-chloro-3-(dimethylsulfamoyl)benzamide

C20H24ClN3O4S — CID 38255180

IUPACN-[4-(tert-butylcarbamoyl)phenyl]-4-chloro-3-(dimethylsulfamoyl)benzamide
SMILESCN(C)S(=O)(=O)c1cc(C(=O)Nc2ccc(C(=O)NC(C)(C)C)cc2)ccc1Cl
InChIInChI=1S/C20H24ClN3O4S/c1-20(2,3)23-19(26)13-6-9-15(10-7-13)22-18(25)14-8-11-16(21)17(12-14)29(27,28)24(4)5/h6-12H,1-5H3,(H,22,25)(H,23,26)
InChIKeyKDCUOEPQWXMADV-UHFFFAOYSA-N
MW437.95 g/mol
LogP3.37
Rot. Bonds5

About N-[4-(tert-butylcarbamoyl)phenyl]-4-chloro-3-(dimethylsulfamoyl)benzamide

N-[4-(tert-butylcarbamoyl)phenyl]-4-chloro-3-(dimethylsulfamoyl)benzamide (PubChem CID 38255180) has the molecular formula C20H24ClN3O4S and a molecular weight of 437.95 g/mol. Its IUPAC name is N-[4-(tert-butylcarbamoyl)phenyl]-4-chloro-3-(dimethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[4-(tert-butylcarbamoyl)phenyl]-4-chloro-3-(dimethylsulfamoyl)benzamide
PubChem CID38255180
Molecular FormulaC20H24ClN3O4S
Molecular Weight437.95 g/mol
Exact Mass437.12
IUPAC NameN-[4-(tert-butylcarbamoyl)phenyl]-4-chloro-3-(dimethylsulfamoyl)benzamide
SMILESCN(C)S(=O)(=O)c1cc(C(=O)Nc2ccc(C(=O)NC(C)(C)C)cc2)ccc1Cl
InChIInChI=1S/C20H24ClN3O4S/c1-20(2,3)23-19(26)13-6-9-15(10-7-13)22-18(25)14-8-11-16(21)17(12-14)29(27,28)24(4)5/h6-12H,1-5H3,(H,22,25)(H,23,26)
InChIKeyKDCUOEPQWXMADV-UHFFFAOYSA-N
XLogP3.37
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.95
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-3-(dimethylsulfamoyl)benzamide
CID 24659613
4-chloro-3-(dimethylsulfamoyl)-N-(3-methylphenyl)benzamide
CID 26537805
N-(4-tert-butylphenyl)-4-chloro-3-(diethylsulfamoyl)benzamide
CID 7914188
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-4-(trifluoromethoxy)benzamide
CID 5134597
4-chloro-3-(dimethylsulfamoyl)-N-(3,4,5-trimethoxyphenyl)benzamide
CID 26102014
4-chloro-3-[methoxy(methyl)sulfamoyl]-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 9158529
4-chloro-N-(4-chlorophenyl)-3-[methoxy(methyl)sulfamoyl]benzamide
CID 27666735
4-chloro-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-sulfamoylbenzamide
CID 24635521
N-(4-tert-butylphenyl)-4-chloro-3-sulfamoylbenzamide
CID 9413612
4-chloro-3-(dimethylsulfamoyl)-N-propan-2-ylbenzamide
CID 34234138
N-[4-(tert-butylcarbamoyl)phenyl]-3-chlorobenzamide
CID 17199504
(2R)-2-[[4-chloro-3-(dimethylsulfamoyl)benzoyl]amino]-2-methylpentanoic acid
CID 97315366

Frequently Asked Questions

What is the IUPAC name of N-[4-(tert-butylcarbamoyl)phenyl]-4-chloro-3-(dimethylsulfamoyl)benzamide?
The IUPAC name of N-[4-(tert-butylcarbamoyl)phenyl]-4-chloro-3-(dimethylsulfamoyl)benzamide (CID 38255180) is N-[4-(tert-butylcarbamoyl)phenyl]-4-chloro-3-(dimethylsulfamoyl)benzamide.
What is the SMILES notation for N-[4-(tert-butylcarbamoyl)phenyl]-4-chloro-3-(dimethylsulfamoyl)benzamide?
The canonical SMILES for N-[4-(tert-butylcarbamoyl)phenyl]-4-chloro-3-(dimethylsulfamoyl)benzamide is CN(C)S(=O)(=O)c1cc(C(=O)Nc2ccc(C(=O)NC(C)(C)C)cc2)ccc1Cl.
What is the InChIKey of N-[4-(tert-butylcarbamoyl)phenyl]-4-chloro-3-(dimethylsulfamoyl)benzamide?
The InChIKey is KDCUOEPQWXMADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O4S/c1-20(2,3)23-19(26)13-6-9-15(10-7-13)22-18(25)14-8-11-16(21)17(12-14)29(27,28)24(4)5/h6-12H,1-5H3,(H,22,25)(H,23,26).
What are the key properties of N-[4-(tert-butylcarbamoyl)phenyl]-4-chloro-3-(dimethylsulfamoyl)benzamide?
N-[4-(tert-butylcarbamoyl)phenyl]-4-chloro-3-(dimethylsulfamoyl)benzamide has a molecular weight of 437.95 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(tert-butylcarbamoyl)phenyl]-4-chloro-3-(dimethylsulfamoyl)benzamide is sourced from PubChem (CID 38255180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).