N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-4-methoxybenzenesulfonamide

C19H19ClN2O3S — CID 113085193

IUPACN-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC2(c3c[nH]c4ccc(Cl)cc34)CC2)cc1
InChIInChI=1S/C19H19ClN2O3S/c1-25-14-3-5-15(6-4-14)26(23,24)22-12-19(8-9-19)17-11-21-18-7-2-13(20)10-16(17)18/h2-7,10-11,21-22H,8-9,12H2,1H3
InChIKeySMUQLTYGEZWGKM-UHFFFAOYSA-N
MW390.89 g/mol
LogP3.84
Rot. Bonds6

About N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-4-methoxybenzenesulfonamide

N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-4-methoxybenzenesulfonamide (PubChem CID 113085193) has the molecular formula C19H19ClN2O3S and a molecular weight of 390.89 g/mol. Its IUPAC name is N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-4-methoxybenzenesulfonamide
PubChem CID113085193
Molecular FormulaC19H19ClN2O3S
Molecular Weight390.89 g/mol
Exact Mass390.08
IUPAC NameN-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC2(c3c[nH]c4ccc(Cl)cc34)CC2)cc1
InChIInChI=1S/C19H19ClN2O3S/c1-25-14-3-5-15(6-4-14)26(23,24)22-12-19(8-9-19)17-11-21-18-7-2-13(20)10-16(17)18/h2-7,10-11,21-22H,8-9,12H2,1H3
InChIKeySMUQLTYGEZWGKM-UHFFFAOYSA-N
XLogP3.84
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.89
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-methylbenzenesulfonamide
CID 681823
[2-(2-Cyclopropylmethoxy-phenoxy)-ethyl]-[2-(1H-indol-3-yl)-1,1-dimethyl-ethyl]-amine
CID 3894573
N-[2-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3-hydroxybenzenesulfonamide
CID 66803595
N-[5-(6-chloroindol-1-yl)sulfonyl-2-methoxyphenyl]-1-methylpiperidin-4-amine
CID 67341609
6-chloro-1-((4-methoxy-3-(piperazin-1-yl)phenyl)sulfonyl)-3-methyl-1H-indole
CID 118173772
5-chloro-1-((4-methoxy-3-(piperazin-1-yl)phenyl)sulfonyl)-3-methyl-1H-indole
CID 118173790
US9663498, Example 25
CID 118181453
6-chloro-1-((4-methoxy-3-(piperazin-1-yl)phenyl)sulfonyl)-1H-indole
CID 118181460
7-(4-Chlorophenyl)-1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridine
CID 66757616
Substituted phenylsulfonyltryptamine, 11i
CID 23655464
Substituted phenylsulfonyltryptamine, 11l
CID 23655467
N-[2-(1H-indol-3-yl)ethyl]-4-(4-methoxyphenyl)benzene-1-sulfonamide
CID 24825388

Frequently Asked Questions

What is the IUPAC name of N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-4-methoxybenzenesulfonamide (CID 113085193) is N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NCC2(c3c[nH]c4ccc(Cl)cc34)CC2)cc1.
What is the InChIKey of N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-4-methoxybenzenesulfonamide?
The InChIKey is SMUQLTYGEZWGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O3S/c1-25-14-3-5-15(6-4-14)26(23,24)22-12-19(8-9-19)17-11-21-18-7-2-13(20)10-16(17)18/h2-7,10-11,21-22H,8-9,12H2,1H3.
What are the key properties of N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-4-methoxybenzenesulfonamide?
N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-4-methoxybenzenesulfonamide has a molecular weight of 390.89 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 113085193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).