N-[[1-(6-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2-phenylethanesulfonamide

C20H21ClN2O2S — CID 113085496

IUPACN-[[1-(6-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2-phenylethanesulfonamide
SMILESO=S(=O)(CCc1ccccc1)NCC1(c2c[nH]c3cc(Cl)ccc23)CC1
InChIInChI=1S/C20H21ClN2O2S/c21-16-6-7-17-18(13-22-19(17)12-16)20(9-10-20)14-23-26(24,25)11-8-15-4-2-1-3-5-15/h1-7,12-13,22-23H,8-11,14H2
InChIKeyCBWAPAXRSQTJQM-UHFFFAOYSA-N
MW388.92 g/mol
LogP4.01
Rot. Bonds7

About N-[[1-(6-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2-phenylethanesulfonamide

N-[[1-(6-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2-phenylethanesulfonamide (PubChem CID 113085496) has the molecular formula C20H21ClN2O2S and a molecular weight of 388.92 g/mol. Its IUPAC name is N-[[1-(6-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2-phenylethanesulfonamide.

Molecular Properties

Compound NameN-[[1-(6-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2-phenylethanesulfonamide
PubChem CID113085496
Molecular FormulaC20H21ClN2O2S
Molecular Weight388.92 g/mol
Exact Mass388.10
IUPAC NameN-[[1-(6-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2-phenylethanesulfonamide
SMILESO=S(=O)(CCc1ccccc1)NCC1(c2c[nH]c3cc(Cl)ccc23)CC1
InChIInChI=1S/C20H21ClN2O2S/c21-16-6-7-17-18(13-22-19(17)12-16)20(9-10-20)14-23-26(24,25)11-8-15-4-2-1-3-5-15/h1-7,12-13,22-23H,8-11,14H2
InChIKeyCBWAPAXRSQTJQM-UHFFFAOYSA-N
XLogP4.01
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.92
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]-2-phenylethanesulfonamide
CID 113084771
N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-3-phenylpropane-1-sulfonamide
CID 113085407
N-[[1-(6-chloro-1H-indol-3-yl)cyclopropyl]methyl]thiophene-2-sulfonamide
CID 113085492
N-[[1-(6-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2-(3-methylphenyl)acetamide
CID 113085465
N-[[1-(6-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2,2-dimethylpropanamide
CID 113085424
N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2-methylbenzenesulfonamide
CID 113085207
3,4-dichloro-N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]benzenesulfonamide
CID 113084752
N-[[1-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]propane-1-sulfonamide
CID 113085087
2-phenyl-N-[(1-thiophen-3-ylcyclopropyl)methyl]ethanesulfonamide
CID 146078875
N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-2-methylbenzenesulfonamide
CID 113085412
N-[[1-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]ethanesulfonamide
CID 113085086
N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-4-methoxybenzenesulfonamide
CID 113085193

Frequently Asked Questions

What is the IUPAC name of N-[[1-(6-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2-phenylethanesulfonamide?
The IUPAC name of N-[[1-(6-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2-phenylethanesulfonamide (CID 113085496) is N-[[1-(6-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2-phenylethanesulfonamide.
What is the SMILES notation for N-[[1-(6-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2-phenylethanesulfonamide?
The canonical SMILES for N-[[1-(6-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2-phenylethanesulfonamide is O=S(=O)(CCc1ccccc1)NCC1(c2c[nH]c3cc(Cl)ccc23)CC1.
What is the InChIKey of N-[[1-(6-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2-phenylethanesulfonamide?
The InChIKey is CBWAPAXRSQTJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O2S/c21-16-6-7-17-18(13-22-19(17)12-16)20(9-10-20)14-23-26(24,25)11-8-15-4-2-1-3-5-15/h1-7,12-13,22-23H,8-11,14H2.
What are the key properties of N-[[1-(6-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2-phenylethanesulfonamide?
N-[[1-(6-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2-phenylethanesulfonamide has a molecular weight of 388.92 g/mol, XLogP of 4.01, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(6-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2-phenylethanesulfonamide is sourced from PubChem (CID 113085496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).