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

C14H15ClN4O2S — CID 71790187

IUPAC2-chloro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1cnc(N2CCCC2)nc1)c1ccccc1Cl
InChIInChI=1S/C14H15ClN4O2S/c15-12-5-1-2-6-13(12)22(20,21)18-11-9-16-14(17-10-11)19-7-3-4-8-19/h1-2,5-6,9-10,18H,3-4,7-8H2
InChIKeyKANSXBBABGIZOH-UHFFFAOYSA-N
MW338.82 g/mol
LogP2.53
Rot. Bonds4

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

2-chloro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzenesulfonamide (PubChem CID 71790187) has the molecular formula C14H15ClN4O2S and a molecular weight of 338.82 g/mol. Its IUPAC name is 2-chloro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzenesulfonamide
PubChem CID71790187
Molecular FormulaC14H15ClN4O2S
Molecular Weight338.82 g/mol
Exact Mass338.06
IUPAC Name2-chloro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1cnc(N2CCCC2)nc1)c1ccccc1Cl
InChIInChI=1S/C14H15ClN4O2S/c15-12-5-1-2-6-13(12)22(20,21)18-11-9-16-14(17-10-11)19-7-3-4-8-19/h1-2,5-6,9-10,18H,3-4,7-8H2
InChIKeyKANSXBBABGIZOH-UHFFFAOYSA-N
XLogP2.53
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.82
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-iodo-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzenesulfonamide
CID 122298411
3-chloro-2-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzenesulfonamide
CID 122300152
2,4-dimethyl-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzenesulfonamide
CID 91968208
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
3-chloro-4-methoxy-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzenesulfonamide
CID 71790196
2-chloro-N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]benzenesulfonamide
CID 113011206
3-fluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzenesulfonamide
CID 91968227
2-(azocan-1-yl)-5-[(2-chlorophenyl)sulfonylamino]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
CID 146054712
3-chloro-4-methoxy-N-(2-piperidin-1-ylpyrimidin-5-yl)benzenesulfonamide
CID 122298771
2-chloro-N-(6-piperidin-1-ylpyridazin-3-yl)benzenesulfonamide
CID 113039063
5-fluoro-2-methoxy-N-(2-piperidin-1-ylpyrimidin-5-yl)benzenesulfonamide
CID 122298710

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzenesulfonamide?
The IUPAC name of 2-chloro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzenesulfonamide (CID 71790187) is 2-chloro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzenesulfonamide?
The canonical SMILES for 2-chloro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzenesulfonamide is O=S(=O)(Nc1cnc(N2CCCC2)nc1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzenesulfonamide?
The InChIKey is KANSXBBABGIZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O2S/c15-12-5-1-2-6-13(12)22(20,21)18-11-9-16-14(17-10-11)19-7-3-4-8-19/h1-2,5-6,9-10,18H,3-4,7-8H2.
What are the key properties of 2-chloro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzenesulfonamide?
2-chloro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzenesulfonamide has a molecular weight of 338.82 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzenesulfonamide is sourced from PubChem (CID 71790187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).