N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-pyrrolidin-1-ylsulfonylaniline

C19H22F2N2O4S — CID 24674203

IUPACN-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-pyrrolidin-1-ylsulfonylaniline
SMILESCOc1cc(CNc2cccc(S(=O)(=O)N3CCCC3)c2)ccc1OC(F)F
InChIInChI=1S/C19H22F2N2O4S/c1-26-18-11-14(7-8-17(18)27-19(20)21)13-22-15-5-4-6-16(12-15)28(24,25)23-9-2-3-10-23/h4-8,11-12,19,22H,2-3,9-10,13H2,1H3
InChIKeyTXSBHWJKSRUHKI-UHFFFAOYSA-N
MW412.46 g/mol
LogP3.69
Rot. Bonds8

About N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-pyrrolidin-1-ylsulfonylaniline

N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-pyrrolidin-1-ylsulfonylaniline (PubChem CID 24674203) has the molecular formula C19H22F2N2O4S and a molecular weight of 412.46 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-pyrrolidin-1-ylsulfonylaniline.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-pyrrolidin-1-ylsulfonylaniline
PubChem CID24674203
Molecular FormulaC19H22F2N2O4S
Molecular Weight412.46 g/mol
Exact Mass412.13
IUPAC NameN-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-pyrrolidin-1-ylsulfonylaniline
SMILESCOc1cc(CNc2cccc(S(=O)(=O)N3CCCC3)c2)ccc1OC(F)F
InChIInChI=1S/C19H22F2N2O4S/c1-26-18-11-14(7-8-17(18)27-19(20)21)13-22-15-5-4-6-16(12-15)28(24,25)23-9-2-3-10-23/h4-8,11-12,19,22H,2-3,9-10,13H2,1H3
InChIKeyTXSBHWJKSRUHKI-UHFFFAOYSA-N
XLogP3.69
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.46
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(difluoromethoxy)-3-methoxyphenyl]-N-(3-piperidin-1-ylsulfonylphenyl)prop-2-enamide
CID 3646487
N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide
CID 46820900
4-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-N,N-diethylbenzenesulfonamide
CID 24541366
4-(difluoromethoxy)-3-methoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 26252591
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 55760837
4-(difluoromethoxy)-3-methoxy-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 26065662
1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-[(2-morpholin-4-ylsulfonylphenyl)methyl]urea
CID 46445553
N-(2-methoxy-5-methylphenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide
CID 9083438
3-[3-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]phenyl]propanoic acid
CID 122044374
N-[[4-[2-(dimethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-3-piperidin-1-ylsulfonylbenzamide
CID 46477327
2-(5-acetyl-2-methoxyphenyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 17428360
1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-phenylhydrazine
CID 169384519

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-pyrrolidin-1-ylsulfonylaniline?
The IUPAC name of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-pyrrolidin-1-ylsulfonylaniline (CID 24674203) is N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-pyrrolidin-1-ylsulfonylaniline.
What is the SMILES notation for N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-pyrrolidin-1-ylsulfonylaniline?
The canonical SMILES for N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-pyrrolidin-1-ylsulfonylaniline is COc1cc(CNc2cccc(S(=O)(=O)N3CCCC3)c2)ccc1OC(F)F.
What is the InChIKey of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-pyrrolidin-1-ylsulfonylaniline?
The InChIKey is TXSBHWJKSRUHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N2O4S/c1-26-18-11-14(7-8-17(18)27-19(20)21)13-22-15-5-4-6-16(12-15)28(24,25)23-9-2-3-10-23/h4-8,11-12,19,22H,2-3,9-10,13H2,1H3.
What are the key properties of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-pyrrolidin-1-ylsulfonylaniline?
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-pyrrolidin-1-ylsulfonylaniline has a molecular weight of 412.46 g/mol, XLogP of 3.69, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-pyrrolidin-1-ylsulfonylaniline is sourced from PubChem (CID 24674203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).