2,6-dichloro-N-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-(methanesulfonamido)benzamide

C17H16Cl2N4O4S — CID 59617917

IUPAC2,6-dichloro-N-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-(methanesulfonamido)benzamide
SMILESCS(=O)(=O)Nc1cc(Cl)c(C(=O)Nc2ccnc(NC(=O)C3CC3)c2)c(Cl)c1
InChIInChI=1S/C17H16Cl2N4O4S/c1-28(26,27)23-11-6-12(18)15(13(19)7-11)17(25)21-10-4-5-20-14(8-10)22-16(24)9-2-3-9/h4-9,23H,2-3H2,1H3,(H2,20,21,22,24,25)
InChIKeyOJIQMVWKCDIBCD-UHFFFAOYSA-N
MW443.31 g/mol
LogP3.36
Rot. Bonds6

About 2,6-dichloro-N-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-(methanesulfonamido)benzamide

2,6-dichloro-N-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-(methanesulfonamido)benzamide (PubChem CID 59617917) has the molecular formula C17H16Cl2N4O4S and a molecular weight of 443.31 g/mol. Its IUPAC name is 2,6-dichloro-N-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-(methanesulfonamido)benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-(methanesulfonamido)benzamide
PubChem CID59617917
Molecular FormulaC17H16Cl2N4O4S
Molecular Weight443.31 g/mol
Exact Mass442.03
IUPAC Name2,6-dichloro-N-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-(methanesulfonamido)benzamide
SMILESCS(=O)(=O)Nc1cc(Cl)c(C(=O)Nc2ccnc(NC(=O)C3CC3)c2)c(Cl)c1
InChIInChI=1S/C17H16Cl2N4O4S/c1-28(26,27)23-11-6-12(18)15(13(19)7-11)17(25)21-10-4-5-20-14(8-10)22-16(24)9-2-3-9/h4-9,23H,2-3H2,1H3,(H2,20,21,22,24,25)
InChIKeyOJIQMVWKCDIBCD-UHFFFAOYSA-N
XLogP3.36
TPSA117.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.31
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-(methanesulfonamido)benzamide?
The IUPAC name of 2,6-dichloro-N-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-(methanesulfonamido)benzamide (CID 59617917) is 2,6-dichloro-N-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-(methanesulfonamido)benzamide.
What is the SMILES notation for 2,6-dichloro-N-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-(methanesulfonamido)benzamide?
The canonical SMILES for 2,6-dichloro-N-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-(methanesulfonamido)benzamide is CS(=O)(=O)Nc1cc(Cl)c(C(=O)Nc2ccnc(NC(=O)C3CC3)c2)c(Cl)c1.
What is the InChIKey of 2,6-dichloro-N-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-(methanesulfonamido)benzamide?
The InChIKey is OJIQMVWKCDIBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N4O4S/c1-28(26,27)23-11-6-12(18)15(13(19)7-11)17(25)21-10-4-5-20-14(8-10)22-16(24)9-2-3-9/h4-9,23H,2-3H2,1H3,(H2,20,21,22,24,25).
What are the key properties of 2,6-dichloro-N-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-(methanesulfonamido)benzamide?
2,6-dichloro-N-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-(methanesulfonamido)benzamide has a molecular weight of 443.31 g/mol, XLogP of 3.36, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-(methanesulfonamido)benzamide is sourced from PubChem (CID 59617917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).