N-cyclopentyl-4-(2,3-dihydroindol-1-ylsulfonyl)benzenesulfonamide

C19H22N2O4S2 — CID 648591

IUPACN-cyclopentyl-4-(2,3-dihydroindol-1-ylsulfonyl)benzenesulfonamide
SMILESO=S(=O)(NC1CCCC1)c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C19H22N2O4S2/c22-26(23,20-16-6-2-3-7-16)17-9-11-18(12-10-17)27(24,25)21-14-13-15-5-1-4-8-19(15)21/h1,4-5,8-12,16,20H,2-3,6-7,13-14H2
InChIKeyBONXKLIWVLZFBR-UHFFFAOYSA-N
MW406.53 g/mol
LogP2.66
Rot. Bonds5

About N-cyclopentyl-4-(2,3-dihydroindol-1-ylsulfonyl)benzenesulfonamide

N-cyclopentyl-4-(2,3-dihydroindol-1-ylsulfonyl)benzenesulfonamide (PubChem CID 648591) has the molecular formula C19H22N2O4S2 and a molecular weight of 406.53 g/mol. Its IUPAC name is N-cyclopentyl-4-(2,3-dihydroindol-1-ylsulfonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopentyl-4-(2,3-dihydroindol-1-ylsulfonyl)benzenesulfonamide
PubChem CID648591
Molecular FormulaC19H22N2O4S2
Molecular Weight406.53 g/mol
Exact Mass406.10
IUPAC NameN-cyclopentyl-4-(2,3-dihydroindol-1-ylsulfonyl)benzenesulfonamide
SMILESO=S(=O)(NC1CCCC1)c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C19H22N2O4S2/c22-26(23,20-16-6-2-3-7-16)17-9-11-18(12-10-17)27(24,25)21-14-13-15-5-1-4-8-19(15)21/h1,4-5,8-12,16,20H,2-3,6-7,13-14H2
InChIKeyBONXKLIWVLZFBR-UHFFFAOYSA-N
XLogP2.66
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-(2,3-dihydroindol-1-ylsulfonyl)benzenesulfonamide?
The IUPAC name of N-cyclopentyl-4-(2,3-dihydroindol-1-ylsulfonyl)benzenesulfonamide (CID 648591) is N-cyclopentyl-4-(2,3-dihydroindol-1-ylsulfonyl)benzenesulfonamide.
What is the SMILES notation for N-cyclopentyl-4-(2,3-dihydroindol-1-ylsulfonyl)benzenesulfonamide?
The canonical SMILES for N-cyclopentyl-4-(2,3-dihydroindol-1-ylsulfonyl)benzenesulfonamide is O=S(=O)(NC1CCCC1)c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1.
What is the InChIKey of N-cyclopentyl-4-(2,3-dihydroindol-1-ylsulfonyl)benzenesulfonamide?
The InChIKey is BONXKLIWVLZFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S2/c22-26(23,20-16-6-2-3-7-16)17-9-11-18(12-10-17)27(24,25)21-14-13-15-5-1-4-8-19(15)21/h1,4-5,8-12,16,20H,2-3,6-7,13-14H2.
What are the key properties of N-cyclopentyl-4-(2,3-dihydroindol-1-ylsulfonyl)benzenesulfonamide?
N-cyclopentyl-4-(2,3-dihydroindol-1-ylsulfonyl)benzenesulfonamide has a molecular weight of 406.53 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-(2,3-dihydroindol-1-ylsulfonyl)benzenesulfonamide is sourced from PubChem (CID 648591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).