N-[5-(azepan-1-yl)-2-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide

C16H23N5O2S — CID 113031132

IUPACN-[5-(azepan-1-yl)-2-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(N2CCCCCC2)cn1
InChIInChI=1S/C16H23N5O2S/c1-12-16(13(2)19-18-12)24(22,23)20-15-8-7-14(11-17-15)21-9-5-3-4-6-10-21/h7-8,11H,3-6,9-10H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyXDXANJMCKKZLRR-UHFFFAOYSA-N
MW349.46 g/mol
LogP2.60
Rot. Bonds4

About N-[5-(azepan-1-yl)-2-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide

N-[5-(azepan-1-yl)-2-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide (PubChem CID 113031132) has the molecular formula C16H23N5O2S and a molecular weight of 349.46 g/mol. Its IUPAC name is N-[5-(azepan-1-yl)-2-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[5-(azepan-1-yl)-2-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
PubChem CID113031132
Molecular FormulaC16H23N5O2S
Molecular Weight349.46 g/mol
Exact Mass349.16
IUPAC NameN-[5-(azepan-1-yl)-2-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(N2CCCCCC2)cn1
InChIInChI=1S/C16H23N5O2S/c1-12-16(13(2)19-18-12)24(22,23)20-15-8-7-14(11-17-15)21-9-5-3-4-6-10-21/h7-8,11H,3-6,9-10H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyXDXANJMCKKZLRR-UHFFFAOYSA-N
XLogP2.60
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dimethyl-N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]-1H-pyrazole-4-sulfonamide
CID 113024918
N-[5-(azepan-1-yl)-2-pyridinyl]-2,4,6-trimethylbenzenesulfonamide
CID 113031108
2-(dimethylsulfamoylamino)-5-pyrrolidin-1-ylpyridine
CID 113024377
3,5-dimethyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1H-pyrazole-4-sulfonamide
CID 110405080
3,4-dimethyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)benzenesulfonamide
CID 113024384
N-[5-(azepan-1-yl)-2-pyridinyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 113031119
4-fluoro-3-methyl-N-(5-piperidin-1-yl-2-pyridinyl)benzenesulfonamide
CID 113024649
3-chloro-2-methyl-N-(5-piperidin-1-yl-2-pyridinyl)benzenesulfonamide
CID 68842273
3,5-dimethyl-N-[4-(3-methylpiperidin-1-yl)phenyl]-1H-pyrazole-4-sulfonamide
CID 112985603
N-[6-(cyclohexylamino)pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113039171
N-[4-(azepan-1-ylsulfonyl)phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 2683816
N-[6-(cycloheptylamino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113014983

Frequently Asked Questions

What is the IUPAC name of N-[5-(azepan-1-yl)-2-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[5-(azepan-1-yl)-2-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide (CID 113031132) is N-[5-(azepan-1-yl)-2-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[5-(azepan-1-yl)-2-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[5-(azepan-1-yl)-2-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide is Cc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(N2CCCCCC2)cn1.
What is the InChIKey of N-[5-(azepan-1-yl)-2-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The InChIKey is XDXANJMCKKZLRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2S/c1-12-16(13(2)19-18-12)24(22,23)20-15-8-7-14(11-17-15)21-9-5-3-4-6-10-21/h7-8,11H,3-6,9-10H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of N-[5-(azepan-1-yl)-2-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
N-[5-(azepan-1-yl)-2-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide has a molecular weight of 349.46 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(azepan-1-yl)-2-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 113031132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).