5-[2-(dimethylsulfamoylamino)cyclopropyl]-2-fluoro-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide

C23H28FN7O3S — CID 146402863

IUPAC5-[2-(dimethylsulfamoylamino)cyclopropyl]-2-fluoro-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide
SMILESCc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1C1CC1NS(=O)(=O)N(C)C
InChIInChI=1S/C23H28FN7O3S/c1-13(2)31-12-25-28-22(31)19-7-6-8-21(26-19)27-23(32)17-10-15(14(3)9-18(17)24)16-11-20(16)29-35(33,34)30(4)5/h6-10,12-13,16,20,29H,11H2,1-5H3,(H,26,27,32)
InChIKeyUGLZHPFJSSGQPQ-UHFFFAOYSA-N
MW501.59 g/mol
LogP2.87
Rot. Bonds8

About 5-[2-(dimethylsulfamoylamino)cyclopropyl]-2-fluoro-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide

5-[2-(dimethylsulfamoylamino)cyclopropyl]-2-fluoro-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide (PubChem CID 146402863) has the molecular formula C23H28FN7O3S and a molecular weight of 501.59 g/mol. Its IUPAC name is 5-[2-(dimethylsulfamoylamino)cyclopropyl]-2-fluoro-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name5-[2-(dimethylsulfamoylamino)cyclopropyl]-2-fluoro-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide
PubChem CID146402863
Molecular FormulaC23H28FN7O3S
Molecular Weight501.59 g/mol
Exact Mass501.20
IUPAC Name5-[2-(dimethylsulfamoylamino)cyclopropyl]-2-fluoro-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide
SMILESCc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1C1CC1NS(=O)(=O)N(C)C
InChIInChI=1S/C23H28FN7O3S/c1-13(2)31-12-25-28-22(31)19-7-6-8-21(26-19)27-23(32)17-10-15(14(3)9-18(17)24)16-11-20(16)29-35(33,34)30(4)5/h6-10,12-13,16,20,29H,11H2,1-5H3,(H,26,27,32)
InChIKeyUGLZHPFJSSGQPQ-UHFFFAOYSA-N
XLogP2.87
TPSA122.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.59
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(dimethylsulfamoylamino)cyclopropyl]-2-fluoro-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide?
The IUPAC name of 5-[2-(dimethylsulfamoylamino)cyclopropyl]-2-fluoro-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide (CID 146402863) is 5-[2-(dimethylsulfamoylamino)cyclopropyl]-2-fluoro-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide.
What is the SMILES notation for 5-[2-(dimethylsulfamoylamino)cyclopropyl]-2-fluoro-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide?
The canonical SMILES for 5-[2-(dimethylsulfamoylamino)cyclopropyl]-2-fluoro-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide is Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1C1CC1NS(=O)(=O)N(C)C.
What is the InChIKey of 5-[2-(dimethylsulfamoylamino)cyclopropyl]-2-fluoro-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide?
The InChIKey is UGLZHPFJSSGQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN7O3S/c1-13(2)31-12-25-28-22(31)19-7-6-8-21(26-19)27-23(32)17-10-15(14(3)9-18(17)24)16-11-20(16)29-35(33,34)30(4)5/h6-10,12-13,16,20,29H,11H2,1-5H3,(H,26,27,32).
What are the key properties of 5-[2-(dimethylsulfamoylamino)cyclopropyl]-2-fluoro-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide?
5-[2-(dimethylsulfamoylamino)cyclopropyl]-2-fluoro-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide has a molecular weight of 501.59 g/mol, XLogP of 2.87, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(dimethylsulfamoylamino)cyclopropyl]-2-fluoro-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide is sourced from PubChem (CID 146402863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).