2,4-dimethyl-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzenesulfonamide

C16H20N4O2S — CID 91968208

IUPAC2,4-dimethyl-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cnc(N3CCCC3)nc2)c(C)c1
InChIInChI=1S/C16H20N4O2S/c1-12-5-6-15(13(2)9-12)23(21,22)19-14-10-17-16(18-11-14)20-7-3-4-8-20/h5-6,9-11,19H,3-4,7-8H2,1-2H3
InChIKeyXCNUYHAVXVICEI-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.49
Rot. Bonds4

About 2,4-dimethyl-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzenesulfonamide

2,4-dimethyl-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzenesulfonamide (PubChem CID 91968208) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is 2,4-dimethyl-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-dimethyl-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzenesulfonamide
PubChem CID91968208
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC Name2,4-dimethyl-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cnc(N3CCCC3)nc2)c(C)c1
InChIInChI=1S/C16H20N4O2S/c1-12-5-6-15(13(2)9-12)23(21,22)19-14-10-17-16(18-11-14)20-7-3-4-8-20/h5-6,9-11,19H,3-4,7-8H2,1-2H3
InChIKeyXCNUYHAVXVICEI-UHFFFAOYSA-N
XLogP2.49
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-2-methyl-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]benzenesulfonamide
CID 122299914
N-(2-methoxypyrimidin-5-yl)-2,4-dimethylbenzenesulfonamide
CID 91968392
2-(azocan-1-yl)-5-[(2,4-dimethylphenyl)sulfonylamino]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
CID 146054705
2-chloro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzenesulfonamide
CID 71790187
4-iodo-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzenesulfonamide
CID 122298411
2,4-dimethyl-N-(2-phenylpyrimidin-5-yl)benzenesulfonamide
CID 166435638
5-[(2,4-dimethylphenyl)sulfonylamino]-6-pyrrolidin-1-ylpyridine-3-carboxylic acid
CID 53056820
5-fluoro-2-methoxy-N-(2-piperidin-1-ylpyrimidin-5-yl)benzenesulfonamide
CID 122298710
1-(2,4-dimethylphenyl)-3-(2-pyrrolidin-1-ylpyrimidin-5-yl)urea
CID 91968079
5-chloro-2-methoxy-N-(2-piperidin-1-ylpyrimidin-5-yl)benzenesulfonamide
CID 122298753
4-bromo-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzenesulfonamide
CID 122298412
4-methyl-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]benzenesulfonamide
CID 91968264

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzenesulfonamide?
The IUPAC name of 2,4-dimethyl-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzenesulfonamide (CID 91968208) is 2,4-dimethyl-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzenesulfonamide.
What is the SMILES notation for 2,4-dimethyl-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzenesulfonamide?
The canonical SMILES for 2,4-dimethyl-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cnc(N3CCCC3)nc2)c(C)c1.
What is the InChIKey of 2,4-dimethyl-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzenesulfonamide?
The InChIKey is XCNUYHAVXVICEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-12-5-6-15(13(2)9-12)23(21,22)19-14-10-17-16(18-11-14)20-7-3-4-8-20/h5-6,9-11,19H,3-4,7-8H2,1-2H3.
What are the key properties of 2,4-dimethyl-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzenesulfonamide?
2,4-dimethyl-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzenesulfonamide has a molecular weight of 332.43 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzenesulfonamide is sourced from PubChem (CID 91968208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).