(4-fluoro-3-methylphenyl)-[4-methoxy-3-(propan-2-ylsulfamoylamino)phenyl]methanone

C18H21FN2O4S — CID 110613482

IUPAC(4-fluoro-3-methylphenyl)-[4-methoxy-3-(propan-2-ylsulfamoylamino)phenyl]methanone
SMILESCOc1ccc(C(=O)c2ccc(F)c(C)c2)cc1NS(=O)(=O)NC(C)C
InChIInChI=1S/C18H21FN2O4S/c1-11(2)20-26(23,24)21-16-10-14(6-8-17(16)25-4)18(22)13-5-7-15(19)12(3)9-13/h5-11,20-21H,1-4H3
InChIKeyQKBVLYDSMHGWRW-UHFFFAOYSA-N
MW380.44 g/mol
LogP3.03
Rot. Bonds7

About (4-fluoro-3-methylphenyl)-[4-methoxy-3-(propan-2-ylsulfamoylamino)phenyl]methanone

(4-fluoro-3-methylphenyl)-[4-methoxy-3-(propan-2-ylsulfamoylamino)phenyl]methanone (PubChem CID 110613482) has the molecular formula C18H21FN2O4S and a molecular weight of 380.44 g/mol. Its IUPAC name is (4-fluoro-3-methylphenyl)-[4-methoxy-3-(propan-2-ylsulfamoylamino)phenyl]methanone.

Molecular Properties

Compound Name(4-fluoro-3-methylphenyl)-[4-methoxy-3-(propan-2-ylsulfamoylamino)phenyl]methanone
PubChem CID110613482
Molecular FormulaC18H21FN2O4S
Molecular Weight380.44 g/mol
Exact Mass380.12
IUPAC Name(4-fluoro-3-methylphenyl)-[4-methoxy-3-(propan-2-ylsulfamoylamino)phenyl]methanone
SMILESCOc1ccc(C(=O)c2ccc(F)c(C)c2)cc1NS(=O)(=O)NC(C)C
InChIInChI=1S/C18H21FN2O4S/c1-11(2)20-26(23,24)21-16-10-14(6-8-17(16)25-4)18(22)13-5-7-15(19)12(3)9-13/h5-11,20-21H,1-4H3
InChIKeyQKBVLYDSMHGWRW-UHFFFAOYSA-N
XLogP3.03
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(4-fluoro-3-methylbenzoyl)-2-methoxyphenyl]-3-methylsulfonylpropanamide
CID 110613477
(4-fluoro-3-methoxyphenyl)-(4-methoxy-3-methylphenyl)methanone
CID 81283370
(4,5-dimethoxy-2-methylphenyl)-(4-fluoro-3-methylphenyl)methanone
CID 63209380
(5-fluoro-2-methoxyphenyl)-(4-fluoro-3-methylphenyl)methanone
CID 63209421
methyl 3-[(4-fluoro-3-methylphenyl)sulfonylamino]-4-methylbenzoate
CID 99816310
methyl 3-(methanesulfonamido)-4-methoxybenzoate
CID 5303011
(3-fluoro-4-methoxyphenyl)-(4-methoxy-3,5-dimethylphenyl)methanone
CID 83044007
N-(5-acetyl-2-methoxyphenyl)-4-fluorobenzenesulfonamide
CID 82156500
N-(5-benzoyl-2-methoxyphenyl)-2-methylpropanamide
CID 56687266
methyl 3-(benzenesulfonamido)-4-methoxybenzoate
CID 3804370
N-(3,4-dimethoxyphenyl)-4-fluoro-3-methylbenzamide
CID 63212434
methyl 4-methoxy-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]benzoate
CID 3408360

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-3-methylphenyl)-[4-methoxy-3-(propan-2-ylsulfamoylamino)phenyl]methanone?
The IUPAC name of (4-fluoro-3-methylphenyl)-[4-methoxy-3-(propan-2-ylsulfamoylamino)phenyl]methanone (CID 110613482) is (4-fluoro-3-methylphenyl)-[4-methoxy-3-(propan-2-ylsulfamoylamino)phenyl]methanone.
What is the SMILES notation for (4-fluoro-3-methylphenyl)-[4-methoxy-3-(propan-2-ylsulfamoylamino)phenyl]methanone?
The canonical SMILES for (4-fluoro-3-methylphenyl)-[4-methoxy-3-(propan-2-ylsulfamoylamino)phenyl]methanone is COc1ccc(C(=O)c2ccc(F)c(C)c2)cc1NS(=O)(=O)NC(C)C.
What is the InChIKey of (4-fluoro-3-methylphenyl)-[4-methoxy-3-(propan-2-ylsulfamoylamino)phenyl]methanone?
The InChIKey is QKBVLYDSMHGWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O4S/c1-11(2)20-26(23,24)21-16-10-14(6-8-17(16)25-4)18(22)13-5-7-15(19)12(3)9-13/h5-11,20-21H,1-4H3.
What are the key properties of (4-fluoro-3-methylphenyl)-[4-methoxy-3-(propan-2-ylsulfamoylamino)phenyl]methanone?
(4-fluoro-3-methylphenyl)-[4-methoxy-3-(propan-2-ylsulfamoylamino)phenyl]methanone has a molecular weight of 380.44 g/mol, XLogP of 3.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-3-methylphenyl)-[4-methoxy-3-(propan-2-ylsulfamoylamino)phenyl]methanone is sourced from PubChem (CID 110613482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).