N-(cyclopropylmethyl)-4-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-(trifluoromethyl)benzenesulfonamide

C17H19F3N4O4S — CID 24948181

IUPACN-(cyclopropylmethyl)-4-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-(trifluoromethyl)benzenesulfonamide
SMILESCOc1cc(OC)nc(Nc2ccc(S(=O)(=O)NCC3CC3)c(C(F)(F)F)c2)n1
InChIInChI=1S/C17H19F3N4O4S/c1-27-14-8-15(28-2)24-16(23-14)22-11-5-6-13(12(7-11)17(18,19)20)29(25,26)21-9-10-3-4-10/h5-8,10,21H,3-4,9H2,1-2H3,(H,22,23,24)
InChIKeyRXPZYWZLGCLKTB-UHFFFAOYSA-N
MW432.42 g/mol
LogP2.94
Rot. Bonds8

About N-(cyclopropylmethyl)-4-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-(trifluoromethyl)benzenesulfonamide

N-(cyclopropylmethyl)-4-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 24948181) has the molecular formula C17H19F3N4O4S and a molecular weight of 432.42 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-4-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-4-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-(trifluoromethyl)benzenesulfonamide
PubChem CID24948181
Molecular FormulaC17H19F3N4O4S
Molecular Weight432.42 g/mol
Exact Mass432.11
IUPAC NameN-(cyclopropylmethyl)-4-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-(trifluoromethyl)benzenesulfonamide
SMILESCOc1cc(OC)nc(Nc2ccc(S(=O)(=O)NCC3CC3)c(C(F)(F)F)c2)n1
InChIInChI=1S/C17H19F3N4O4S/c1-27-14-8-15(28-2)24-16(23-14)22-11-5-6-13(12(7-11)17(18,19)20)29(25,26)21-9-10-3-4-10/h5-8,10,21H,3-4,9H2,1-2H3,(H,22,23,24)
InChIKeyRXPZYWZLGCLKTB-UHFFFAOYSA-N
XLogP2.94
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.42
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-4-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(cyclopropylmethyl)-4-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-(trifluoromethyl)benzenesulfonamide (CID 24948181) is N-(cyclopropylmethyl)-4-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(cyclopropylmethyl)-4-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(cyclopropylmethyl)-4-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-(trifluoromethyl)benzenesulfonamide is COc1cc(OC)nc(Nc2ccc(S(=O)(=O)NCC3CC3)c(C(F)(F)F)c2)n1.
What is the InChIKey of N-(cyclopropylmethyl)-4-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is RXPZYWZLGCLKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N4O4S/c1-27-14-8-15(28-2)24-16(23-14)22-11-5-6-13(12(7-11)17(18,19)20)29(25,26)21-9-10-3-4-10/h5-8,10,21H,3-4,9H2,1-2H3,(H,22,23,24).
What are the key properties of N-(cyclopropylmethyl)-4-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-(trifluoromethyl)benzenesulfonamide?
N-(cyclopropylmethyl)-4-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 432.42 g/mol, XLogP of 2.94, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-4-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 24948181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).