4-[[5-cyano-4-(2-hydroxycyclopentyl)oxypyrimidin-2-yl]amino]benzenesulfonamide

C16H17N5O4S — CID 171582037

IUPAC4-[[5-cyano-4-(2-hydroxycyclopentyl)oxypyrimidin-2-yl]amino]benzenesulfonamide
SMILESN#Cc1cnc(Nc2ccc(S(N)(=O)=O)cc2)nc1OC1CCCC1O
InChIInChI=1S/C16H17N5O4S/c17-8-10-9-19-16(21-15(10)25-14-3-1-2-13(14)22)20-11-4-6-12(7-5-11)26(18,23)24/h4-7,9,13-14,22H,1-3H2,(H2,18,23,24)(H,19,20,21)
InChIKeyBFTPBRJJWBLTEE-UHFFFAOYSA-N
MW375.41 g/mol
LogP1.03
Rot. Bonds5

About 4-[[5-cyano-4-(2-hydroxycyclopentyl)oxypyrimidin-2-yl]amino]benzenesulfonamide

4-[[5-cyano-4-(2-hydroxycyclopentyl)oxypyrimidin-2-yl]amino]benzenesulfonamide (PubChem CID 171582037) has the molecular formula C16H17N5O4S and a molecular weight of 375.41 g/mol. Its IUPAC name is 4-[[5-cyano-4-(2-hydroxycyclopentyl)oxypyrimidin-2-yl]amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[[5-cyano-4-(2-hydroxycyclopentyl)oxypyrimidin-2-yl]amino]benzenesulfonamide
PubChem CID171582037
Molecular FormulaC16H17N5O4S
Molecular Weight375.41 g/mol
Exact Mass375.10
IUPAC Name4-[[5-cyano-4-(2-hydroxycyclopentyl)oxypyrimidin-2-yl]amino]benzenesulfonamide
SMILESN#Cc1cnc(Nc2ccc(S(N)(=O)=O)cc2)nc1OC1CCCC1O
InChIInChI=1S/C16H17N5O4S/c17-8-10-9-19-16(21-15(10)25-14-3-1-2-13(14)22)20-11-4-6-12(7-5-11)26(18,23)24/h4-7,9,13-14,22H,1-3H2,(H2,18,23,24)(H,19,20,21)
InChIKeyBFTPBRJJWBLTEE-UHFFFAOYSA-N
XLogP1.03
TPSA151.22 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

4-[[4-[(1R,2S)-2-hydroxycyclopentyl]oxy-5-methylpyrimidin-2-yl]amino]benzenesulfonamide
CID 167090041
4-[[5-(difluoromethyl)-4-[(1S,2R)-2-hydroxycyclopentyl]oxypyrimidin-2-yl]amino]benzenesulfonamide
CID 171581919
4-[[4-(2-hydroxycyclopentyl)oxy-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzenesulfonamide
CID 167089954
4-[[5-cyano-4-[(1R,2S)-2-hydroxycyclohexyl]oxypyrimidin-2-yl]amino]-N-(3,3-difluorocyclobutyl)benzenesulfonamide
CID 167090134
4-[[5-cyano-4-(cyclopentylmethoxy)pyrimidin-2-yl]amino]benzenesulfonamide
CID 167090124
4-[[4-(2-hydroxycyclohexyl)oxy-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzenesulfonamide
CID 167090243
4-[[4-[(1R,2S)-2-hydroxycyclohexyl]oxy-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzenesulfonamide
CID 167090060
4-[[4-[(1R,2S)-2-hydroxycycloheptyl]oxy-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzenesulfonamide
CID 167090143
4-[[4-(2-hydroxycycloheptyl)oxy-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzenesulfonamide
CID 167090127
4-[[5-ethynyl-4-(2-hydroxycyclohexyl)oxypyrimidin-2-yl]amino]-N-(3-fluorocyclobutyl)benzenesulfonamide
CID 167089961
4-[[4-[(1S,2R)-2-hydroxycyclopentyl]oxy-5-methylpyrimidin-2-yl]amino]-N-(trideuteriomethyl)benzenesulfonamide
CID 171582068
4-[[5-ethyl-4-[(1S,2R)-2-hydroxycyclopentyl]oxypyrimidin-2-yl]amino]-N-(trideuteriomethyl)benzenesulfonamide
CID 171582035

Frequently Asked Questions

What is the IUPAC name of 4-[[5-cyano-4-(2-hydroxycyclopentyl)oxypyrimidin-2-yl]amino]benzenesulfonamide?
The IUPAC name of 4-[[5-cyano-4-(2-hydroxycyclopentyl)oxypyrimidin-2-yl]amino]benzenesulfonamide (CID 171582037) is 4-[[5-cyano-4-(2-hydroxycyclopentyl)oxypyrimidin-2-yl]amino]benzenesulfonamide.
What is the SMILES notation for 4-[[5-cyano-4-(2-hydroxycyclopentyl)oxypyrimidin-2-yl]amino]benzenesulfonamide?
The canonical SMILES for 4-[[5-cyano-4-(2-hydroxycyclopentyl)oxypyrimidin-2-yl]amino]benzenesulfonamide is N#Cc1cnc(Nc2ccc(S(N)(=O)=O)cc2)nc1OC1CCCC1O.
What is the InChIKey of 4-[[5-cyano-4-(2-hydroxycyclopentyl)oxypyrimidin-2-yl]amino]benzenesulfonamide?
The InChIKey is BFTPBRJJWBLTEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O4S/c17-8-10-9-19-16(21-15(10)25-14-3-1-2-13(14)22)20-11-4-6-12(7-5-11)26(18,23)24/h4-7,9,13-14,22H,1-3H2,(H2,18,23,24)(H,19,20,21).
What are the key properties of 4-[[5-cyano-4-(2-hydroxycyclopentyl)oxypyrimidin-2-yl]amino]benzenesulfonamide?
4-[[5-cyano-4-(2-hydroxycyclopentyl)oxypyrimidin-2-yl]amino]benzenesulfonamide has a molecular weight of 375.41 g/mol, XLogP of 1.03, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-cyano-4-(2-hydroxycyclopentyl)oxypyrimidin-2-yl]amino]benzenesulfonamide is sourced from PubChem (CID 171582037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).