N-[2-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]phenyl]methanesulfonamide

C19H20N4O2S — CID 59435406

IUPACN-[2-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccccc1-c1ccc2c(c1)N(Cc1cnc[nH]1)CC2
InChIInChI=1S/C19H20N4O2S/c1-26(24,25)22-18-5-3-2-4-17(18)15-7-6-14-8-9-23(19(14)10-15)12-16-11-20-13-21-16/h2-7,10-11,13,22H,8-9,12H2,1H3,(H,20,21)
InChIKeyRVUSGMBOYNFAOX-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.01
Rot. Bonds5

About N-[2-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]phenyl]methanesulfonamide

N-[2-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]phenyl]methanesulfonamide (PubChem CID 59435406) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is N-[2-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]phenyl]methanesulfonamide
PubChem CID59435406
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC NameN-[2-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccccc1-c1ccc2c(c1)N(Cc1cnc[nH]1)CC2
InChIInChI=1S/C19H20N4O2S/c1-26(24,25)22-18-5-3-2-4-17(18)15-7-6-14-8-9-23(19(14)10-15)12-16-11-20-13-21-16/h2-7,10-11,13,22H,8-9,12H2,1H3,(H,20,21)
InChIKeyRVUSGMBOYNFAOX-UHFFFAOYSA-N
XLogP3.01
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[2-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]phenyl]methanesulfonamide (CID 59435406) is N-[2-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[2-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccccc1-c1ccc2c(c1)N(Cc1cnc[nH]1)CC2.
What is the InChIKey of N-[2-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]phenyl]methanesulfonamide?
The InChIKey is RVUSGMBOYNFAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-26(24,25)22-18-5-3-2-4-17(18)15-7-6-14-8-9-23(19(14)10-15)12-16-11-20-13-21-16/h2-7,10-11,13,22H,8-9,12H2,1H3,(H,20,21).
What are the key properties of N-[2-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]phenyl]methanesulfonamide?
N-[2-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]phenyl]methanesulfonamide has a molecular weight of 368.46 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 59435406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).