4-(methanesulfonamido)-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide

C18H21N3O5S2 — CID 2976948

IUPAC4-(methanesulfonamido)-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1
InChIInChI=1S/C18H21N3O5S2/c1-27(23,24)20-16-6-4-14(5-7-16)18(22)19-15-8-10-17(11-9-15)28(25,26)21-12-2-3-13-21/h4-11,20H,2-3,12-13H2,1H3,(H,19,22)
InChIKeyLEZHMWZXDXZKEG-UHFFFAOYSA-N
MW423.52 g/mol
LogP2.09
Rot. Bonds6

About 4-(methanesulfonamido)-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide

4-(methanesulfonamido)-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide (PubChem CID 2976948) has the molecular formula C18H21N3O5S2 and a molecular weight of 423.52 g/mol. Its IUPAC name is 4-(methanesulfonamido)-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name4-(methanesulfonamido)-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
PubChem CID2976948
Molecular FormulaC18H21N3O5S2
Molecular Weight423.52 g/mol
Exact Mass423.09
IUPAC Name4-(methanesulfonamido)-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1
InChIInChI=1S/C18H21N3O5S2/c1-27(23,24)20-16-6-4-14(5-7-16)18(22)19-15-8-10-17(11-9-15)28(25,26)21-12-2-3-13-21/h4-11,20H,2-3,12-13H2,1H3,(H,19,22)
InChIKeyLEZHMWZXDXZKEG-UHFFFAOYSA-N
XLogP2.09
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(methanesulfonamido)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 2978605
4-pyrrolidin-1-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 26252425
1-N,4-N-bis[4-(azepan-1-ylsulfonyl)phenyl]benzene-1,4-dicarboxamide
CID 5167539
N-(4-acetylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 650028
4-(azepan-1-ylsulfonyl)-N-[4-[4-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]phenyl]phenyl]benzamide
CID 3537523
N-(4-fluorophenyl)-4-piperidin-1-ylsulfonylbenzamide
CID 2704882
N-(4-ethylphenyl)-4-piperidin-1-ylsulfonylbenzamide
CID 26697285
2-chloro-4-(methanesulfonamido)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 92681738
N-(4-bromophenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 46385831
N-[4-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 17440704
N-(4-nitrophenyl)-4-piperidin-1-ylsulfonylbenzamide
CID 2965881
4-(azepan-1-ylsulfonyl)-N-(3,4-dimethylphenyl)benzamide
CID 2600312

Frequently Asked Questions

What is the IUPAC name of 4-(methanesulfonamido)-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide?
The IUPAC name of 4-(methanesulfonamido)-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide (CID 2976948) is 4-(methanesulfonamido)-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 4-(methanesulfonamido)-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide?
The canonical SMILES for 4-(methanesulfonamido)-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide is CS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1.
What is the InChIKey of 4-(methanesulfonamido)-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide?
The InChIKey is LEZHMWZXDXZKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O5S2/c1-27(23,24)20-16-6-4-14(5-7-16)18(22)19-15-8-10-17(11-9-15)28(25,26)21-12-2-3-13-21/h4-11,20H,2-3,12-13H2,1H3,(H,19,22).
What are the key properties of 4-(methanesulfonamido)-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide?
4-(methanesulfonamido)-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide has a molecular weight of 423.52 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methanesulfonamido)-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 2976948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).