N-cyclopropyl-4-[(2R)-2-(3-hydroxypropyl)-2-methylpyrrolidin-1-yl]sulfonylbenzenesulfonamide

C17H26N2O5S2 — CID 97253312

IUPACN-cyclopropyl-4-[(2R)-2-(3-hydroxypropyl)-2-methylpyrrolidin-1-yl]sulfonylbenzenesulfonamide
SMILESC[C@]1(CCCO)CCCN1S(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C17H26N2O5S2/c1-17(11-3-13-20)10-2-12-19(17)26(23,24)16-8-6-15(7-9-16)25(21,22)18-14-4-5-14/h6-9,14,18,20H,2-5,10-13H2,1H3/t17-/m1/s1
InChIKeyQQXVBAHWPDZRHZ-QGZVFWFLSA-N
MW402.54 g/mol
LogP1.44
Rot. Bonds8

About N-cyclopropyl-4-[(2R)-2-(3-hydroxypropyl)-2-methylpyrrolidin-1-yl]sulfonylbenzenesulfonamide

N-cyclopropyl-4-[(2R)-2-(3-hydroxypropyl)-2-methylpyrrolidin-1-yl]sulfonylbenzenesulfonamide (PubChem CID 97253312) has the molecular formula C17H26N2O5S2 and a molecular weight of 402.54 g/mol. Its IUPAC name is N-cyclopropyl-4-[(2R)-2-(3-hydroxypropyl)-2-methylpyrrolidin-1-yl]sulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[(2R)-2-(3-hydroxypropyl)-2-methylpyrrolidin-1-yl]sulfonylbenzenesulfonamide
PubChem CID97253312
Molecular FormulaC17H26N2O5S2
Molecular Weight402.54 g/mol
Exact Mass402.13
IUPAC NameN-cyclopropyl-4-[(2R)-2-(3-hydroxypropyl)-2-methylpyrrolidin-1-yl]sulfonylbenzenesulfonamide
SMILESC[C@]1(CCCO)CCCN1S(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C17H26N2O5S2/c1-17(11-3-13-20)10-2-12-19(17)26(23,24)16-8-6-15(7-9-16)25(21,22)18-14-4-5-14/h6-9,14,18,20H,2-5,10-13H2,1H3/t17-/m1/s1
InChIKeyQQXVBAHWPDZRHZ-QGZVFWFLSA-N
XLogP1.44
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-4-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]benzenesulfonamide
CID 114757003
N-cyclopropyl-4-(4-hydroxy-4-methylpiperidin-1-yl)benzenesulfonamide
CID 81107725
N-cyclopropyl-4-(4-ethylpiperazin-1-yl)sulfonylbenzenesulfonamide
CID 1429249
N-cyclopropyl-4-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzenesulfonamide
CID 7130388
N-[4-(cyclopropylsulfamoyl)phenyl]-4-hydroxybutanamide
CID 79191548
4-(azepan-1-ylsulfonyl)-N-cyclohexylbenzenesulfonamide
CID 1167072
N-cyclopropyl-4-piperazin-1-ylsulfonylbenzenesulfonamide
CID 119961776
4-(4-aminopiperidin-1-yl)sulfonyl-N-cyclopropylbenzenesulfonamide
CID 119959258
4-(bromomethyl)-N-(4,4-dimethylcyclohexyl)benzenesulfonamide
CID 65481434
4-N-cyclopropyl-1-N-[3-(methylamino)propyl]benzene-1,4-disulfonamide;hydrochloride
CID 119964978
N-cyclopropyl-4-[(2,2-dimethylcyclopentyl)amino]benzenesulfonamide
CID 79870274
N-cyclopropyl-4-(4-hydroxybutan-2-ylamino)benzenesulfonamide
CID 83186685

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[(2R)-2-(3-hydroxypropyl)-2-methylpyrrolidin-1-yl]sulfonylbenzenesulfonamide?
The IUPAC name of N-cyclopropyl-4-[(2R)-2-(3-hydroxypropyl)-2-methylpyrrolidin-1-yl]sulfonylbenzenesulfonamide (CID 97253312) is N-cyclopropyl-4-[(2R)-2-(3-hydroxypropyl)-2-methylpyrrolidin-1-yl]sulfonylbenzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-4-[(2R)-2-(3-hydroxypropyl)-2-methylpyrrolidin-1-yl]sulfonylbenzenesulfonamide?
The canonical SMILES for N-cyclopropyl-4-[(2R)-2-(3-hydroxypropyl)-2-methylpyrrolidin-1-yl]sulfonylbenzenesulfonamide is C[C@]1(CCCO)CCCN1S(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1.
What is the InChIKey of N-cyclopropyl-4-[(2R)-2-(3-hydroxypropyl)-2-methylpyrrolidin-1-yl]sulfonylbenzenesulfonamide?
The InChIKey is QQXVBAHWPDZRHZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H26N2O5S2/c1-17(11-3-13-20)10-2-12-19(17)26(23,24)16-8-6-15(7-9-16)25(21,22)18-14-4-5-14/h6-9,14,18,20H,2-5,10-13H2,1H3/t17-/m1/s1.
What are the key properties of N-cyclopropyl-4-[(2R)-2-(3-hydroxypropyl)-2-methylpyrrolidin-1-yl]sulfonylbenzenesulfonamide?
N-cyclopropyl-4-[(2R)-2-(3-hydroxypropyl)-2-methylpyrrolidin-1-yl]sulfonylbenzenesulfonamide has a molecular weight of 402.54 g/mol, XLogP of 1.44, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[(2R)-2-(3-hydroxypropyl)-2-methylpyrrolidin-1-yl]sulfonylbenzenesulfonamide is sourced from PubChem (CID 97253312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).