N-[(3R)-1-[(4-cyclopropyloxyphenyl)methyl]pyrrolidin-3-yl]-1H-imidazole-2-sulfonamide

C17H22N4O3S — CID 130225166

IUPACN-[(3R)-1-[(4-cyclopropyloxyphenyl)methyl]pyrrolidin-3-yl]-1H-imidazole-2-sulfonamide
SMILESO=S(=O)(N[C@@H]1CCN(Cc2ccc(OC3CC3)cc2)C1)c1ncc[nH]1
InChIInChI=1S/C17H22N4O3S/c22-25(23,17-18-8-9-19-17)20-14-7-10-21(12-14)11-13-1-3-15(4-2-13)24-16-5-6-16/h1-4,8-9,14,16,20H,5-7,10-12H2,(H,18,19)/t14-/m1/s1
InChIKeyDRTRWTLGDAOVJI-CQSZACIVSA-N
MW362.46 g/mol
LogP1.50
Rot. Bonds7

About N-[(3R)-1-[(4-cyclopropyloxyphenyl)methyl]pyrrolidin-3-yl]-1H-imidazole-2-sulfonamide

N-[(3R)-1-[(4-cyclopropyloxyphenyl)methyl]pyrrolidin-3-yl]-1H-imidazole-2-sulfonamide (PubChem CID 130225166) has the molecular formula C17H22N4O3S and a molecular weight of 362.46 g/mol. Its IUPAC name is N-[(3R)-1-[(4-cyclopropyloxyphenyl)methyl]pyrrolidin-3-yl]-1H-imidazole-2-sulfonamide.

Molecular Properties

Compound NameN-[(3R)-1-[(4-cyclopropyloxyphenyl)methyl]pyrrolidin-3-yl]-1H-imidazole-2-sulfonamide
PubChem CID130225166
Molecular FormulaC17H22N4O3S
Molecular Weight362.46 g/mol
Exact Mass362.14
IUPAC NameN-[(3R)-1-[(4-cyclopropyloxyphenyl)methyl]pyrrolidin-3-yl]-1H-imidazole-2-sulfonamide
SMILESO=S(=O)(N[C@@H]1CCN(Cc2ccc(OC3CC3)cc2)C1)c1ncc[nH]1
InChIInChI=1S/C17H22N4O3S/c22-25(23,17-18-8-9-19-17)20-14-7-10-21(12-14)11-13-1-3-15(4-2-13)24-16-5-6-16/h1-4,8-9,14,16,20H,5-7,10-12H2,(H,18,19)/t14-/m1/s1
InChIKeyDRTRWTLGDAOVJI-CQSZACIVSA-N
XLogP1.50
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3R)-1-[(4-cyclopropyloxyphenyl)methyl]pyrrolidin-3-yl]-2-methyl-5-(trifluoromethyl)benzenesulfonamide
CID 118521530
N-[1-[(4-cyclopentyloxyphenyl)methyl]pyrrolidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 123163181
N-[(3S)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]pyrrolidin-3-yl]benzenesulfonamide
CID 25042421
N-[(3S)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]pyrrolidin-3-yl]-4-methoxybenzenesulfonamide
CID 25046055
N-[(3R)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]pyrrolidin-3-yl]-4-methoxybenzenesulfonamide
CID 25040869
N-(1-benzylpyrrolidin-3-yl)benzenesulfonamide
CID 51169833
N-pyrrolidin-3-yl-1H-imidazole-2-sulfonamide
CID 130591651
5-chloro-2-[[(3R)-1-[(4-cyclopropyloxyphenyl)methyl]pyrrolidin-3-yl]methylsulfonyl]pyridine
CID 161120682
N-[(3S)-1-[(6-ethoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]propane-1-sulfonamide
CID 95107295
N-[(3R)-1-[(4-propan-2-yloxyphenyl)methyl]pyrrolidin-3-yl]quinoline-3-sulfonamide
CID 118521609
2-methyl-5-methylsulfonyl-N-[(3R)-1-[(4-propan-2-yloxyphenyl)methyl]pyrrolidin-3-yl]benzenesulfonamide
CID 130225296
5-chloro-N-[(3R)-1-[(4-phenylphenyl)methyl]pyrrolidin-3-yl]pyridine-2-sulfonamide
CID 130225240

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[(4-cyclopropyloxyphenyl)methyl]pyrrolidin-3-yl]-1H-imidazole-2-sulfonamide?
The IUPAC name of N-[(3R)-1-[(4-cyclopropyloxyphenyl)methyl]pyrrolidin-3-yl]-1H-imidazole-2-sulfonamide (CID 130225166) is N-[(3R)-1-[(4-cyclopropyloxyphenyl)methyl]pyrrolidin-3-yl]-1H-imidazole-2-sulfonamide.
What is the SMILES notation for N-[(3R)-1-[(4-cyclopropyloxyphenyl)methyl]pyrrolidin-3-yl]-1H-imidazole-2-sulfonamide?
The canonical SMILES for N-[(3R)-1-[(4-cyclopropyloxyphenyl)methyl]pyrrolidin-3-yl]-1H-imidazole-2-sulfonamide is O=S(=O)(N[C@@H]1CCN(Cc2ccc(OC3CC3)cc2)C1)c1ncc[nH]1.
What is the InChIKey of N-[(3R)-1-[(4-cyclopropyloxyphenyl)methyl]pyrrolidin-3-yl]-1H-imidazole-2-sulfonamide?
The InChIKey is DRTRWTLGDAOVJI-CQSZACIVSA-N. The full InChI is InChI=1S/C17H22N4O3S/c22-25(23,17-18-8-9-19-17)20-14-7-10-21(12-14)11-13-1-3-15(4-2-13)24-16-5-6-16/h1-4,8-9,14,16,20H,5-7,10-12H2,(H,18,19)/t14-/m1/s1.
What are the key properties of N-[(3R)-1-[(4-cyclopropyloxyphenyl)methyl]pyrrolidin-3-yl]-1H-imidazole-2-sulfonamide?
N-[(3R)-1-[(4-cyclopropyloxyphenyl)methyl]pyrrolidin-3-yl]-1H-imidazole-2-sulfonamide has a molecular weight of 362.46 g/mol, XLogP of 1.50, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[(4-cyclopropyloxyphenyl)methyl]pyrrolidin-3-yl]-1H-imidazole-2-sulfonamide is sourced from PubChem (CID 130225166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).