[4-(pyrido[2,3-d]pyrimidin-4-ylamino)phenyl]methanesulfonamide

C14H13N5O2S — CID 161435205

IUPAC[4-(pyrido[2,3-d]pyrimidin-4-ylamino)phenyl]methanesulfonamide
SMILESNS(=O)(=O)Cc1ccc(Nc2ncnc3ncccc23)cc1
InChIInChI=1S/C14H13N5O2S/c15-22(20,21)8-10-3-5-11(6-4-10)19-14-12-2-1-7-16-13(12)17-9-18-14/h1-7,9H,8H2,(H2,15,20,21)(H,16,17,18,19)
InChIKeyVYOAHUMHBGJRPH-UHFFFAOYSA-N
MW315.36 g/mol
LogP1.56
Rot. Bonds4

About [4-(pyrido[2,3-d]pyrimidin-4-ylamino)phenyl]methanesulfonamide

[4-(pyrido[2,3-d]pyrimidin-4-ylamino)phenyl]methanesulfonamide (PubChem CID 161435205) has the molecular formula C14H13N5O2S and a molecular weight of 315.36 g/mol. Its IUPAC name is [4-(pyrido[2,3-d]pyrimidin-4-ylamino)phenyl]methanesulfonamide.

Molecular Properties

Compound Name[4-(pyrido[2,3-d]pyrimidin-4-ylamino)phenyl]methanesulfonamide
PubChem CID161435205
Molecular FormulaC14H13N5O2S
Molecular Weight315.36 g/mol
Exact Mass315.08
IUPAC Name[4-(pyrido[2,3-d]pyrimidin-4-ylamino)phenyl]methanesulfonamide
SMILESNS(=O)(=O)Cc1ccc(Nc2ncnc3ncccc23)cc1
InChIInChI=1S/C14H13N5O2S/c15-22(20,21)8-10-3-5-11(6-4-10)19-14-12-2-1-7-16-13(12)17-9-18-14/h1-7,9H,8H2,(H2,15,20,21)(H,16,17,18,19)
InChIKeyVYOAHUMHBGJRPH-UHFFFAOYSA-N
XLogP1.56
TPSA110.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.36
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-bromophenyl)pyrido[2,3-d]pyrimidin-4-amine
CID 110435165
N-(3,4-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine
CID 110435174
N-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrido[2,3-d]pyrimidin-4-amine
CID 163201890
3-N,3-N-dimethyl-1-N-pyrido[2,3-d]pyrimidin-4-ylbenzene-1,3-diamine
CID 110435229
2-methyl-N-[4-(sulfamoylmethyl)phenyl]pyridine-3-carboxamide
CID 78950943
ethyl 2-(pyrido[2,3-d]pyrimidin-4-ylamino)benzoate
CID 56689510
2-N-(4-aminophenyl)-4-N-phenylpyrido[2,3-d]pyrimidine-2,4-diamine
CID 177147618
2-[4-(quinazolin-4-ylamino)phenyl]acetic acid
CID 21002390
[4-(ethylamino)phenyl]methanesulfonamide
CID 43745283
N-cyclododecylpyrido[2,3-d]pyrimidin-4-amine
CID 110432349
N-pyridin-2-yl-4-(quinazolin-4-ylamino)benzenesulfonamide
CID 16805620
N-[(2-chlorophenyl)methyl]pyrido[2,3-d]pyrimidin-4-amine
CID 110432331

Frequently Asked Questions

What is the IUPAC name of [4-(pyrido[2,3-d]pyrimidin-4-ylamino)phenyl]methanesulfonamide?
The IUPAC name of [4-(pyrido[2,3-d]pyrimidin-4-ylamino)phenyl]methanesulfonamide (CID 161435205) is [4-(pyrido[2,3-d]pyrimidin-4-ylamino)phenyl]methanesulfonamide.
What is the SMILES notation for [4-(pyrido[2,3-d]pyrimidin-4-ylamino)phenyl]methanesulfonamide?
The canonical SMILES for [4-(pyrido[2,3-d]pyrimidin-4-ylamino)phenyl]methanesulfonamide is NS(=O)(=O)Cc1ccc(Nc2ncnc3ncccc23)cc1.
What is the InChIKey of [4-(pyrido[2,3-d]pyrimidin-4-ylamino)phenyl]methanesulfonamide?
The InChIKey is VYOAHUMHBGJRPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2S/c15-22(20,21)8-10-3-5-11(6-4-10)19-14-12-2-1-7-16-13(12)17-9-18-14/h1-7,9H,8H2,(H2,15,20,21)(H,16,17,18,19).
What are the key properties of [4-(pyrido[2,3-d]pyrimidin-4-ylamino)phenyl]methanesulfonamide?
[4-(pyrido[2,3-d]pyrimidin-4-ylamino)phenyl]methanesulfonamide has a molecular weight of 315.36 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(pyrido[2,3-d]pyrimidin-4-ylamino)phenyl]methanesulfonamide is sourced from PubChem (CID 161435205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).