2-[3-(dimethylsulfamoylamino)-4-phenylmethoxybenzoyl]pyridine

C21H21N3O4S — CID 54319481

IUPAC2-[3-(dimethylsulfamoylamino)-4-phenylmethoxybenzoyl]pyridine
SMILESCN(C)S(=O)(=O)Nc1cc(C(=O)c2ccccn2)ccc1OCc1ccccc1
InChIInChI=1S/C21H21N3O4S/c1-24(2)29(26,27)23-19-14-17(21(25)18-10-6-7-13-22-18)11-12-20(19)28-15-16-8-4-3-5-9-16/h3-14,23H,15H2,1-2H3
InChIKeySQPPFGZWZBYTGC-UHFFFAOYSA-N
MW411.48 g/mol
LogP3.11
Rot. Bonds8

About 2-[3-(dimethylsulfamoylamino)-4-phenylmethoxybenzoyl]pyridine

2-[3-(dimethylsulfamoylamino)-4-phenylmethoxybenzoyl]pyridine (PubChem CID 54319481) has the molecular formula C21H21N3O4S and a molecular weight of 411.48 g/mol. Its IUPAC name is 2-[3-(dimethylsulfamoylamino)-4-phenylmethoxybenzoyl]pyridine.

Molecular Properties

Compound Name2-[3-(dimethylsulfamoylamino)-4-phenylmethoxybenzoyl]pyridine
PubChem CID54319481
Molecular FormulaC21H21N3O4S
Molecular Weight411.48 g/mol
Exact Mass411.13
IUPAC Name2-[3-(dimethylsulfamoylamino)-4-phenylmethoxybenzoyl]pyridine
SMILESCN(C)S(=O)(=O)Nc1cc(C(=O)c2ccccn2)ccc1OCc1ccccc1
InChIInChI=1S/C21H21N3O4S/c1-24(2)29(26,27)23-19-14-17(21(25)18-10-6-7-13-22-18)11-12-20(19)28-15-16-8-4-3-5-9-16/h3-14,23H,15H2,1-2H3
InChIKeySQPPFGZWZBYTGC-UHFFFAOYSA-N
XLogP3.11
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-bromoacetyl)-2-(dimethylsulfamoylamino)-1-phenylmethoxybenzene
CID 18615102
2-(dimethylsulfamoylamino)-4-(2-iodo-1-triethylsilyloxyethyl)-1-phenylmethoxybenzene
CID 18615149
N-[5-(2-bromoacetyl)-2-phenylmethoxyphenyl]benzenesulfonamide
CID 87937653
N-[5-[2-[benzyl-[4-[benzyl-[2-[3-(methanesulfonamido)-4-phenylmethoxyphenyl]-2-oxoethyl]amino]butyl]amino]acetyl]-2-phenylmethoxyphenyl]methanesulfonamide
CID 21438084
4-(methanesulfonamido)-3-phenylmethoxybenzoic acid
CID 166479657
(5-acetyl-2-phenylmethoxyphenyl)urea
CID 21435558
N-[2,5-bis(phenylmethoxy)phenyl]methanesulfonamide
CID 70516197
N-(5-formyl-2-phenylmethoxyphenyl)methanesulfonamide
CID 82096959
N,N-dimethylmethanamine;methyl 3-methoxy-4-phenylmethoxybenzoate
CID 145103744
(4-chloro-3-methoxyphenyl)-pyridin-2-ylmethanone
CID 79018159
3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylmethoxybenzoic acid
CID 54328163
N-(5-acetyl-2-phenylmethoxyphenyl)-2,2-dimethylpropanamide
CID 82156316

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylsulfamoylamino)-4-phenylmethoxybenzoyl]pyridine?
The IUPAC name of 2-[3-(dimethylsulfamoylamino)-4-phenylmethoxybenzoyl]pyridine (CID 54319481) is 2-[3-(dimethylsulfamoylamino)-4-phenylmethoxybenzoyl]pyridine.
What is the SMILES notation for 2-[3-(dimethylsulfamoylamino)-4-phenylmethoxybenzoyl]pyridine?
The canonical SMILES for 2-[3-(dimethylsulfamoylamino)-4-phenylmethoxybenzoyl]pyridine is CN(C)S(=O)(=O)Nc1cc(C(=O)c2ccccn2)ccc1OCc1ccccc1.
What is the InChIKey of 2-[3-(dimethylsulfamoylamino)-4-phenylmethoxybenzoyl]pyridine?
The InChIKey is SQPPFGZWZBYTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4S/c1-24(2)29(26,27)23-19-14-17(21(25)18-10-6-7-13-22-18)11-12-20(19)28-15-16-8-4-3-5-9-16/h3-14,23H,15H2,1-2H3.
What are the key properties of 2-[3-(dimethylsulfamoylamino)-4-phenylmethoxybenzoyl]pyridine?
2-[3-(dimethylsulfamoylamino)-4-phenylmethoxybenzoyl]pyridine has a molecular weight of 411.48 g/mol, XLogP of 3.11, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylsulfamoylamino)-4-phenylmethoxybenzoyl]pyridine is sourced from PubChem (CID 54319481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).