4-N-[4-(methanesulfonamido)-3-phenoxyphenyl]benzene-1,4-dicarboxamide

C21H19N3O5S — CID 164612899

IUPAC4-N-[4-(methanesulfonamido)-3-phenoxyphenyl]benzene-1,4-dicarboxamide
SMILESCS(=O)(=O)Nc1ccc(NC(=O)c2ccc(C(N)=O)cc2)cc1Oc1ccccc1
InChIInChI=1S/C21H19N3O5S/c1-30(27,28)24-18-12-11-16(13-19(18)29-17-5-3-2-4-6-17)23-21(26)15-9-7-14(8-10-15)20(22)25/h2-13,24H,1H3,(H2,22,25)(H,23,26)
InChIKeyLELFUZWLFTZTPJ-UHFFFAOYSA-N
MW425.47 g/mol
LogP3.20
Rot. Bonds7

About 4-N-[4-(methanesulfonamido)-3-phenoxyphenyl]benzene-1,4-dicarboxamide

4-N-[4-(methanesulfonamido)-3-phenoxyphenyl]benzene-1,4-dicarboxamide (PubChem CID 164612899) has the molecular formula C21H19N3O5S and a molecular weight of 425.47 g/mol. Its IUPAC name is 4-N-[4-(methanesulfonamido)-3-phenoxyphenyl]benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[4-(methanesulfonamido)-3-phenoxyphenyl]benzene-1,4-dicarboxamide
PubChem CID164612899
Molecular FormulaC21H19N3O5S
Molecular Weight425.47 g/mol
Exact Mass425.10
IUPAC Name4-N-[4-(methanesulfonamido)-3-phenoxyphenyl]benzene-1,4-dicarboxamide
SMILESCS(=O)(=O)Nc1ccc(NC(=O)c2ccc(C(N)=O)cc2)cc1Oc1ccccc1
InChIInChI=1S/C21H19N3O5S/c1-30(27,28)24-18-12-11-16(13-19(18)29-17-5-3-2-4-6-17)23-21(26)15-9-7-14(8-10-15)20(22)25/h2-13,24H,1H3,(H2,22,25)(H,23,26)
InChIKeyLELFUZWLFTZTPJ-UHFFFAOYSA-N
XLogP3.20
TPSA127.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.47
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-N-[4-(methanesulfonamido)-3-phenoxyphenyl]benzene-1,4-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N-[4-(methanesulfonamido)-3-propan-2-yloxyphenyl]benzene-1,4-dicarboxamide
CID 164620646
3-chloro-4-(methanesulfonamido)-N-(2-phenoxyphenyl)benzamide
CID 99949135
5-acetamido-2-(methanesulfonamido)-N-(4-phenoxyphenyl)benzamide
CID 56516046
4-(methanesulfonamido)-N-(3-methoxyphenyl)benzamide
CID 958689
2-chloro-N-[3-(methanesulfonamido)-4-phenoxyphenyl]acetamide
CID 15285980
3-chloro-4-(methanesulfonamido)-N-phenylbenzamide
CID 38014443
N-[4-(methanesulfonamido)-3-phenoxyphenyl]-2-(4-phenyltriazol-1-yl)acetamide
CID 72725405
4-anilino-N-[4-(methanesulfonamido)-3-methoxyphenyl]-3-nitrobenzamide
CID 37260133
4-methoxy-3-phenoxy-N-phenylbenzamide
CID 18626251
4-[[3-(methanesulfonamido)-4-methylphenyl]carbamoyl]benzoic acid
CID 146132998
4-[2-(methanesulfonamido)ethyl]-N-(4-phenoxyphenyl)benzamide
CID 27006017
[3-[[3-[[4-(methanesulfonamido)benzoyl]amino]phenyl]carbamoyl]phenyl] acetate
CID 108927824

Frequently Asked Questions

What is the IUPAC name of 4-N-[4-(methanesulfonamido)-3-phenoxyphenyl]benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-[4-(methanesulfonamido)-3-phenoxyphenyl]benzene-1,4-dicarboxamide (CID 164612899) is 4-N-[4-(methanesulfonamido)-3-phenoxyphenyl]benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[4-(methanesulfonamido)-3-phenoxyphenyl]benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-[4-(methanesulfonamido)-3-phenoxyphenyl]benzene-1,4-dicarboxamide is CS(=O)(=O)Nc1ccc(NC(=O)c2ccc(C(N)=O)cc2)cc1Oc1ccccc1.
What is the InChIKey of 4-N-[4-(methanesulfonamido)-3-phenoxyphenyl]benzene-1,4-dicarboxamide?
The InChIKey is LELFUZWLFTZTPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O5S/c1-30(27,28)24-18-12-11-16(13-19(18)29-17-5-3-2-4-6-17)23-21(26)15-9-7-14(8-10-15)20(22)25/h2-13,24H,1H3,(H2,22,25)(H,23,26).
What are the key properties of 4-N-[4-(methanesulfonamido)-3-phenoxyphenyl]benzene-1,4-dicarboxamide?
4-N-[4-(methanesulfonamido)-3-phenoxyphenyl]benzene-1,4-dicarboxamide has a molecular weight of 425.47 g/mol, XLogP of 3.20, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[4-(methanesulfonamido)-3-phenoxyphenyl]benzene-1,4-dicarboxamide is sourced from PubChem (CID 164612899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).