3-chloro-4-methoxy-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzenesulfonamide

C15H17ClN4O3S — CID 71790196

IUPAC3-chloro-4-methoxy-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cnc(N3CCCC3)nc2)cc1Cl
InChIInChI=1S/C15H17ClN4O3S/c1-23-14-5-4-12(8-13(14)16)24(21,22)19-11-9-17-15(18-10-11)20-6-2-3-7-20/h4-5,8-10,19H,2-3,6-7H2,1H3
InChIKeyZKJNSUHSAGHFGW-UHFFFAOYSA-N
MW368.85 g/mol
LogP2.54
Rot. Bonds5

About 3-chloro-4-methoxy-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzenesulfonamide

3-chloro-4-methoxy-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzenesulfonamide (PubChem CID 71790196) has the molecular formula C15H17ClN4O3S and a molecular weight of 368.85 g/mol. Its IUPAC name is 3-chloro-4-methoxy-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-methoxy-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzenesulfonamide
PubChem CID71790196
Molecular FormulaC15H17ClN4O3S
Molecular Weight368.85 g/mol
Exact Mass368.07
IUPAC Name3-chloro-4-methoxy-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cnc(N3CCCC3)nc2)cc1Cl
InChIInChI=1S/C15H17ClN4O3S/c1-23-14-5-4-12(8-13(14)16)24(21,22)19-11-9-17-15(18-10-11)20-6-2-3-7-20/h4-5,8-10,19H,2-3,6-7H2,1H3
InChIKeyZKJNSUHSAGHFGW-UHFFFAOYSA-N
XLogP2.54
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.85
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-4-methoxy-N-(2-piperidin-1-ylpyrimidin-5-yl)benzenesulfonamide
CID 122298771
5-chloro-2-methoxy-N-(2-piperidin-1-ylpyrimidin-5-yl)benzenesulfonamide
CID 122298753
5-fluoro-2-methoxy-N-(2-piperidin-1-ylpyrimidin-5-yl)benzenesulfonamide
CID 122298710
2-(azepan-1-yl)-5-(3-chloro-4-methoxyphenyl)sulfonylpyrimidin-4-amine
CID 53490570
3-chloro-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-4-methoxybenzenesulfonamide
CID 71799831
3-chloro-N-(5-fluoro-2-piperidin-1-ylphenyl)-4-methoxybenzenesulfonamide
CID 113092652
2-chloro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzenesulfonamide
CID 71790187
4-iodo-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzenesulfonamide
CID 122298411
3-chloro-N-(2,6-dichlorophenyl)-4-methoxybenzenesulfonamide
CID 113098935
3-chloro-N-(2-methoxypyrimidin-5-yl)-4-methylbenzenesulfonamide
CID 122301724
N-(2-pyrrolidin-1-ylpyrimidin-5-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 91968299
3-chloro-4-methoxy-N-pyrimidin-2-ylbenzenesulfonamide
CID 110756685

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methoxy-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzenesulfonamide?
The IUPAC name of 3-chloro-4-methoxy-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzenesulfonamide (CID 71790196) is 3-chloro-4-methoxy-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-methoxy-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzenesulfonamide?
The canonical SMILES for 3-chloro-4-methoxy-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cnc(N3CCCC3)nc2)cc1Cl.
What is the InChIKey of 3-chloro-4-methoxy-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzenesulfonamide?
The InChIKey is ZKJNSUHSAGHFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O3S/c1-23-14-5-4-12(8-13(14)16)24(21,22)19-11-9-17-15(18-10-11)20-6-2-3-7-20/h4-5,8-10,19H,2-3,6-7H2,1H3.
What are the key properties of 3-chloro-4-methoxy-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzenesulfonamide?
3-chloro-4-methoxy-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzenesulfonamide has a molecular weight of 368.85 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methoxy-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzenesulfonamide is sourced from PubChem (CID 71790196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).