5-bromo-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]thiophene-2-sulfonamide

C14H17BrN4O2S2 — CID 122317962

IUPAC5-bromo-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]thiophene-2-sulfonamide
SMILESCc1cc(N2CCCC2)nc(CNS(=O)(=O)c2ccc(Br)s2)n1
InChIInChI=1S/C14H17BrN4O2S2/c1-10-8-13(19-6-2-3-7-19)18-12(17-10)9-16-23(20,21)14-5-4-11(15)22-14/h4-5,8,16H,2-3,6-7,9H2,1H3
InChIKeyFDILBDNFWJPMOA-UHFFFAOYSA-N
MW417.35 g/mol
LogP2.69
Rot. Bonds5

About 5-bromo-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]thiophene-2-sulfonamide

5-bromo-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]thiophene-2-sulfonamide (PubChem CID 122317962) has the molecular formula C14H17BrN4O2S2 and a molecular weight of 417.35 g/mol. Its IUPAC name is 5-bromo-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]thiophene-2-sulfonamide
PubChem CID122317962
Molecular FormulaC14H17BrN4O2S2
Molecular Weight417.35 g/mol
Exact Mass416.00
IUPAC Name5-bromo-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]thiophene-2-sulfonamide
SMILESCc1cc(N2CCCC2)nc(CNS(=O)(=O)c2ccc(Br)s2)n1
InChIInChI=1S/C14H17BrN4O2S2/c1-10-8-13(19-6-2-3-7-19)18-12(17-10)9-16-23(20,21)14-5-4-11(15)22-14/h4-5,8,16H,2-3,6-7,9H2,1H3
InChIKeyFDILBDNFWJPMOA-UHFFFAOYSA-N
XLogP2.69
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.35
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]thiophene-2-sulfonamide
CID 71807412
2-chloro-N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide
CID 122318153
3-chloro-4-methyl-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide
CID 122318010
N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 122317958
2-cyano-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide
CID 122318009
4-ethoxy-N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide
CID 71807436
3-chloro-N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide
CID 122318154
4-methoxy-3-methyl-N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide
CID 122318146
N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]thiophene-2-sulfonamide
CID 91966940
1-ethyl-2-methyl-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]imidazole-4-sulfonamide
CID 122317998
N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 122317983
N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-3-nitrobenzenesulfonamide
CID 122318036

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]thiophene-2-sulfonamide (CID 122317962) is 5-bromo-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]thiophene-2-sulfonamide is Cc1cc(N2CCCC2)nc(CNS(=O)(=O)c2ccc(Br)s2)n1.
What is the InChIKey of 5-bromo-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]thiophene-2-sulfonamide?
The InChIKey is FDILBDNFWJPMOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4O2S2/c1-10-8-13(19-6-2-3-7-19)18-12(17-10)9-16-23(20,21)14-5-4-11(15)22-14/h4-5,8,16H,2-3,6-7,9H2,1H3.
What are the key properties of 5-bromo-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]thiophene-2-sulfonamide?
5-bromo-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]thiophene-2-sulfonamide has a molecular weight of 417.35 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 122317962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).