4-[[5-cyano-4-(cyclopentylmethoxy)pyrimidin-2-yl]amino]benzenesulfonamide

C17H19N5O3S — CID 167090124

IUPAC4-[[5-cyano-4-(cyclopentylmethoxy)pyrimidin-2-yl]amino]benzenesulfonamide
SMILESN#Cc1cnc(Nc2ccc(S(N)(=O)=O)cc2)nc1OCC1CCCC1
InChIInChI=1S/C17H19N5O3S/c18-9-13-10-20-17(22-16(13)25-11-12-3-1-2-4-12)21-14-5-7-15(8-6-14)26(19,23)24/h5-8,10,12H,1-4,11H2,(H2,19,23,24)(H,20,21,22)
InChIKeyKDYMFYUQBRLCPF-UHFFFAOYSA-N
MW373.44 g/mol
LogP2.31
Rot. Bonds6

About 4-[[5-cyano-4-(cyclopentylmethoxy)pyrimidin-2-yl]amino]benzenesulfonamide

4-[[5-cyano-4-(cyclopentylmethoxy)pyrimidin-2-yl]amino]benzenesulfonamide (PubChem CID 167090124) has the molecular formula C17H19N5O3S and a molecular weight of 373.44 g/mol. Its IUPAC name is 4-[[5-cyano-4-(cyclopentylmethoxy)pyrimidin-2-yl]amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[[5-cyano-4-(cyclopentylmethoxy)pyrimidin-2-yl]amino]benzenesulfonamide
PubChem CID167090124
Molecular FormulaC17H19N5O3S
Molecular Weight373.44 g/mol
Exact Mass373.12
IUPAC Name4-[[5-cyano-4-(cyclopentylmethoxy)pyrimidin-2-yl]amino]benzenesulfonamide
SMILESN#Cc1cnc(Nc2ccc(S(N)(=O)=O)cc2)nc1OCC1CCCC1
InChIInChI=1S/C17H19N5O3S/c18-9-13-10-20-17(22-16(13)25-11-12-3-1-2-4-12)21-14-5-7-15(8-6-14)26(19,23)24/h5-8,10,12H,1-4,11H2,(H2,19,23,24)(H,20,21,22)
InChIKeyKDYMFYUQBRLCPF-UHFFFAOYSA-N
XLogP2.31
TPSA130.99 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[[5-cyano-4-(2-hydroxycyclopentyl)oxypyrimidin-2-yl]amino]benzenesulfonamide
CID 171582037
4-[[4-amino-6-(cyclohexylmethoxy)-5-nitrosopyrimidin-2-yl]amino]benzenesulfonamide
CID 5329603
4-[(5-cyano-4-prop-2-ynoxypyrimidin-2-yl)amino]-N-cyclopropylbenzenesulfonamide
CID 10155937
5-cyano-6-[(4-hydroxy-4-methylcyclohexyl)methoxy]pyridine-3-sulfonamide
CID 67227799
4-[[5-cyano-4-[(1R,2S)-2-hydroxycyclohexyl]oxypyrimidin-2-yl]amino]-N-(3,3-difluorocyclobutyl)benzenesulfonamide
CID 167090134
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-hydroxycyclopentyl]oxy-5-methylpyrimidin-2-yl]amino]benzenesulfonamide
CID 167090041
4-[[4-(cyclohexylamino)-5-methylpyrimidin-2-yl]amino]benzenesulfonamide
CID 142188527
4-[[4-(2-hydroxycycloheptyl)oxy-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzenesulfonamide
CID 167090127
4-[(5-cyano-4-propan-2-yloxypyrimidin-2-yl)amino]-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 10180071
4-[[4-[(1R,2S)-2-hydroxycycloheptyl]oxy-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzenesulfonamide
CID 167090143

Frequently Asked Questions

What is the IUPAC name of 4-[[5-cyano-4-(cyclopentylmethoxy)pyrimidin-2-yl]amino]benzenesulfonamide?
The IUPAC name of 4-[[5-cyano-4-(cyclopentylmethoxy)pyrimidin-2-yl]amino]benzenesulfonamide (CID 167090124) is 4-[[5-cyano-4-(cyclopentylmethoxy)pyrimidin-2-yl]amino]benzenesulfonamide.
What is the SMILES notation for 4-[[5-cyano-4-(cyclopentylmethoxy)pyrimidin-2-yl]amino]benzenesulfonamide?
The canonical SMILES for 4-[[5-cyano-4-(cyclopentylmethoxy)pyrimidin-2-yl]amino]benzenesulfonamide is N#Cc1cnc(Nc2ccc(S(N)(=O)=O)cc2)nc1OCC1CCCC1.
What is the InChIKey of 4-[[5-cyano-4-(cyclopentylmethoxy)pyrimidin-2-yl]amino]benzenesulfonamide?
The InChIKey is KDYMFYUQBRLCPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3S/c18-9-13-10-20-17(22-16(13)25-11-12-3-1-2-4-12)21-14-5-7-15(8-6-14)26(19,23)24/h5-8,10,12H,1-4,11H2,(H2,19,23,24)(H,20,21,22).
What are the key properties of 4-[[5-cyano-4-(cyclopentylmethoxy)pyrimidin-2-yl]amino]benzenesulfonamide?
4-[[5-cyano-4-(cyclopentylmethoxy)pyrimidin-2-yl]amino]benzenesulfonamide has a molecular weight of 373.44 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-cyano-4-(cyclopentylmethoxy)pyrimidin-2-yl]amino]benzenesulfonamide is sourced from PubChem (CID 167090124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).