N-[6-(butan-2-ylamino)-3-pyridinyl]-6-chloro-2-fluoro-3-(propylsulfonylamino)benzamide

C19H24ClFN4O3S — CID 126647700

IUPACN-[6-(butan-2-ylamino)-3-pyridinyl]-6-chloro-2-fluoro-3-(propylsulfonylamino)benzamide
SMILESCCCS(=O)(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(NC(C)CC)nc2)c1F
InChIInChI=1S/C19H24ClFN4O3S/c1-4-10-29(27,28)25-15-8-7-14(20)17(18(15)21)19(26)24-13-6-9-16(22-11-13)23-12(3)5-2/h6-9,11-12,25H,4-5,10H2,1-3H3,(H,22,23)(H,24,26)
InChIKeyBOSRVXGWUBNZMH-UHFFFAOYSA-N
MW442.94 g/mol
LogP4.49
Rot. Bonds9

About N-[6-(butan-2-ylamino)-3-pyridinyl]-6-chloro-2-fluoro-3-(propylsulfonylamino)benzamide

N-[6-(butan-2-ylamino)-3-pyridinyl]-6-chloro-2-fluoro-3-(propylsulfonylamino)benzamide (PubChem CID 126647700) has the molecular formula C19H24ClFN4O3S and a molecular weight of 442.94 g/mol. Its IUPAC name is N-[6-(butan-2-ylamino)-3-pyridinyl]-6-chloro-2-fluoro-3-(propylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-[6-(butan-2-ylamino)-3-pyridinyl]-6-chloro-2-fluoro-3-(propylsulfonylamino)benzamide
PubChem CID126647700
Molecular FormulaC19H24ClFN4O3S
Molecular Weight442.94 g/mol
Exact Mass442.12
IUPAC NameN-[6-(butan-2-ylamino)-3-pyridinyl]-6-chloro-2-fluoro-3-(propylsulfonylamino)benzamide
SMILESCCCS(=O)(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(NC(C)CC)nc2)c1F
InChIInChI=1S/C19H24ClFN4O3S/c1-4-10-29(27,28)25-15-8-7-14(20)17(18(15)21)19(26)24-13-6-9-16(22-11-13)23-12(3)5-2/h6-9,11-12,25H,4-5,10H2,1-3H3,(H,22,23)(H,24,26)
InChIKeyBOSRVXGWUBNZMH-UHFFFAOYSA-N
XLogP4.49
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.94
LogP ≤ 54.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-N-[6-(2,3-dihydrothiophen-5-ylmethylamino)-3-pyridinyl]-2-fluoro-3-(propylsulfonylamino)benzamide
CID 71035930
N-(6-bromo-3-pyridinyl)-6-chloro-2-fluoro-3-(propylsulfonylamino)benzamide;6-chloro-2-fluoro-N-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-3-pyridinyl]-3-(propylsulfonylamino)benzamide;5-methyl-1,3-thiazol-2-amine
CID 157279377
N-[4-chloro-3-[[[6-(cyclopentylamino)-3-pyridinyl]amino]-hydroxymethyl]-2-fluorophenyl]propane-1-sulfonamide
CID 139306687
2,6-difluoro-N-[2-(propan-2-ylamino)pyrazolo[1,5-a]pyrimidin-6-yl]-3-(propylsulfonylamino)benzamide
CID 50994977
N-[6-(butan-2-ylamino)-3-pyridinyl]-3-chlorobenzamide
CID 113009751
2,6-dichloro-3-(propylsulfonylamino)-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
CID 56675551
1,1-difluorocyclopropane;2,6-difluoro-3-(propylsulfonylamino)-N-(1H-pyrazolo[3,4-b]pyridin-5-yl)benzamide;molecular hydrogen
CID 143860320
methyl 2-amino-5-[[2,6-dichloro-3-(propylsulfonylamino)benzoyl]amino]pyridine-3-carboximidate
CID 163535802
2,6-difluoro-N-(3-oxo-1,2-dihydropyrazolo[3,4-b]pyridin-5-yl)-3-(propylsulfonylamino)benzamide
CID 71552688
butyl 6-chloro-2-fluoro-3-(propylsulfonylamino)benzoate
CID 66827084
5-(butan-2-ylamino)-N-(3,4-dichlorophenyl)pyridine-2-carboxamide
CID 109181756
N-[4-chloro-2-fluoro-3-(3-pyrrolidin-1-ylquinoxaline-6-carbonyl)phenyl]propane-1-sulfonamide
CID 71537325

Frequently Asked Questions

What is the IUPAC name of N-[6-(butan-2-ylamino)-3-pyridinyl]-6-chloro-2-fluoro-3-(propylsulfonylamino)benzamide?
The IUPAC name of N-[6-(butan-2-ylamino)-3-pyridinyl]-6-chloro-2-fluoro-3-(propylsulfonylamino)benzamide (CID 126647700) is N-[6-(butan-2-ylamino)-3-pyridinyl]-6-chloro-2-fluoro-3-(propylsulfonylamino)benzamide.
What is the SMILES notation for N-[6-(butan-2-ylamino)-3-pyridinyl]-6-chloro-2-fluoro-3-(propylsulfonylamino)benzamide?
The canonical SMILES for N-[6-(butan-2-ylamino)-3-pyridinyl]-6-chloro-2-fluoro-3-(propylsulfonylamino)benzamide is CCCS(=O)(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(NC(C)CC)nc2)c1F.
What is the InChIKey of N-[6-(butan-2-ylamino)-3-pyridinyl]-6-chloro-2-fluoro-3-(propylsulfonylamino)benzamide?
The InChIKey is BOSRVXGWUBNZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClFN4O3S/c1-4-10-29(27,28)25-15-8-7-14(20)17(18(15)21)19(26)24-13-6-9-16(22-11-13)23-12(3)5-2/h6-9,11-12,25H,4-5,10H2,1-3H3,(H,22,23)(H,24,26).
What are the key properties of N-[6-(butan-2-ylamino)-3-pyridinyl]-6-chloro-2-fluoro-3-(propylsulfonylamino)benzamide?
N-[6-(butan-2-ylamino)-3-pyridinyl]-6-chloro-2-fluoro-3-(propylsulfonylamino)benzamide has a molecular weight of 442.94 g/mol, XLogP of 4.49, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(butan-2-ylamino)-3-pyridinyl]-6-chloro-2-fluoro-3-(propylsulfonylamino)benzamide is sourced from PubChem (CID 126647700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).