N-[4-(azepan-1-ylsulfonyl)phenyl]-5-(4-methylphenyl)pyrazolidine-3-carboxamide

C23H30N4O3S — CID 75605691

IUPACN-[4-(azepan-1-ylsulfonyl)phenyl]-5-(4-methylphenyl)pyrazolidine-3-carboxamide
SMILESCc1ccc(C2CC(C(=O)Nc3ccc(S(=O)(=O)N4CCCCCC4)cc3)NN2)cc1
InChIInChI=1S/C23H30N4O3S/c1-17-6-8-18(9-7-17)21-16-22(26-25-21)23(28)24-19-10-12-20(13-11-19)31(29,30)27-14-4-2-3-5-15-27/h6-13,21-22,25-26H,2-5,14-16H2,1H3,(H,24,28)
InChIKeyHUSXOUIECCRFSY-UHFFFAOYSA-N
MW442.59 g/mol
LogP3.11
Rot. Bonds5

About N-[4-(azepan-1-ylsulfonyl)phenyl]-5-(4-methylphenyl)pyrazolidine-3-carboxamide

N-[4-(azepan-1-ylsulfonyl)phenyl]-5-(4-methylphenyl)pyrazolidine-3-carboxamide (PubChem CID 75605691) has the molecular formula C23H30N4O3S and a molecular weight of 442.59 g/mol. Its IUPAC name is N-[4-(azepan-1-ylsulfonyl)phenyl]-5-(4-methylphenyl)pyrazolidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(azepan-1-ylsulfonyl)phenyl]-5-(4-methylphenyl)pyrazolidine-3-carboxamide
PubChem CID75605691
Molecular FormulaC23H30N4O3S
Molecular Weight442.59 g/mol
Exact Mass442.20
IUPAC NameN-[4-(azepan-1-ylsulfonyl)phenyl]-5-(4-methylphenyl)pyrazolidine-3-carboxamide
SMILESCc1ccc(C2CC(C(=O)Nc3ccc(S(=O)(=O)N4CCCCCC4)cc3)NN2)cc1
InChIInChI=1S/C23H30N4O3S/c1-17-6-8-18(9-7-17)21-16-22(26-25-21)23(28)24-19-10-12-20(13-11-19)31(29,30)27-14-4-2-3-5-15-27/h6-13,21-22,25-26H,2-5,14-16H2,1H3,(H,24,28)
InChIKeyHUSXOUIECCRFSY-UHFFFAOYSA-N
XLogP3.11
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.59
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2,4-dimethoxyphenyl)-N-(4-piperidin-1-ylsulfonylphenyl)pyrazolidine-3-carboxamide
CID 75283576
(3R)-1-(4-methylphenyl)sulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-3-carboxamide
CID 100664460
(3S)-N-(4-cyclohexylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 1455619
N-(4-piperidin-1-ylsulfonylphenyl)cyclohexanecarboxamide
CID 1013273
(3R)-1-(4-fluorophenyl)sulfonyl-N-(4-methylphenyl)piperidine-3-carboxamide
CID 40639334
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-methylphenyl)acetamide
CID 1291427
2-[4-(azepan-1-ylsulfonyl)anilino]-N-(4-methylphenyl)acetamide
CID 31054307
1-(4-methylphenyl)sulfonyl-azacycloundecane
CID 12715310
1-(4-methylphenyl)sulfonyl-N-(4-sulfamoylphenyl)piperidine-3-carboxamide
CID 16863432
(3S)-N-(4-bromophenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 1078601
2-(4-methylphenyl)sulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 17309488
5-(5-chloro-2-hydroxyphenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]pyrazolidine-3-carboxamide
CID 75653285

Frequently Asked Questions

What is the IUPAC name of N-[4-(azepan-1-ylsulfonyl)phenyl]-5-(4-methylphenyl)pyrazolidine-3-carboxamide?
The IUPAC name of N-[4-(azepan-1-ylsulfonyl)phenyl]-5-(4-methylphenyl)pyrazolidine-3-carboxamide (CID 75605691) is N-[4-(azepan-1-ylsulfonyl)phenyl]-5-(4-methylphenyl)pyrazolidine-3-carboxamide.
What is the SMILES notation for N-[4-(azepan-1-ylsulfonyl)phenyl]-5-(4-methylphenyl)pyrazolidine-3-carboxamide?
The canonical SMILES for N-[4-(azepan-1-ylsulfonyl)phenyl]-5-(4-methylphenyl)pyrazolidine-3-carboxamide is Cc1ccc(C2CC(C(=O)Nc3ccc(S(=O)(=O)N4CCCCCC4)cc3)NN2)cc1.
What is the InChIKey of N-[4-(azepan-1-ylsulfonyl)phenyl]-5-(4-methylphenyl)pyrazolidine-3-carboxamide?
The InChIKey is HUSXOUIECCRFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O3S/c1-17-6-8-18(9-7-17)21-16-22(26-25-21)23(28)24-19-10-12-20(13-11-19)31(29,30)27-14-4-2-3-5-15-27/h6-13,21-22,25-26H,2-5,14-16H2,1H3,(H,24,28).
What are the key properties of N-[4-(azepan-1-ylsulfonyl)phenyl]-5-(4-methylphenyl)pyrazolidine-3-carboxamide?
N-[4-(azepan-1-ylsulfonyl)phenyl]-5-(4-methylphenyl)pyrazolidine-3-carboxamide has a molecular weight of 442.59 g/mol, XLogP of 3.11, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(azepan-1-ylsulfonyl)phenyl]-5-(4-methylphenyl)pyrazolidine-3-carboxamide is sourced from PubChem (CID 75605691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).