(2-chloro-6-methylphenyl)sulfonyl-[1-(1H-indol-3-yl)propan-2-yl]azanium

C18H20ClN2O2S+ — CID 142868385

IUPAC(2-chloro-6-methylphenyl)sulfonyl-[1-(1H-indol-3-yl)propan-2-yl]azanium
SMILESCc1cccc(Cl)c1S(=O)(=O)[NH2+]C(C)Cc1c[nH]c2ccccc12
InChIInChI=1S/C18H19ClN2O2S/c1-12-6-5-8-16(19)18(12)24(22,23)21-13(2)10-14-11-20-17-9-4-3-7-15(14)17/h3-9,11,13,20-21H,10H2,1-2H3/p+1
InChIKeySEVDQAFWIZJRNN-UHFFFAOYSA-O
MW363.89 g/mol
LogP3.01
Rot. Bonds5

About (2-chloro-6-methylphenyl)sulfonyl-[1-(1H-indol-3-yl)propan-2-yl]azanium

(2-chloro-6-methylphenyl)sulfonyl-[1-(1H-indol-3-yl)propan-2-yl]azanium (PubChem CID 142868385) has the molecular formula C18H20ClN2O2S+ and a molecular weight of 363.89 g/mol. Its IUPAC name is (2-chloro-6-methylphenyl)sulfonyl-[1-(1H-indol-3-yl)propan-2-yl]azanium.

Molecular Properties

Compound Name(2-chloro-6-methylphenyl)sulfonyl-[1-(1H-indol-3-yl)propan-2-yl]azanium
PubChem CID142868385
Molecular FormulaC18H20ClN2O2S+
Molecular Weight363.89 g/mol
Exact Mass363.09
IUPAC Name(2-chloro-6-methylphenyl)sulfonyl-[1-(1H-indol-3-yl)propan-2-yl]azanium
SMILESCc1cccc(Cl)c1S(=O)(=O)[NH2+]C(C)Cc1c[nH]c2ccccc12
InChIInChI=1S/C18H19ClN2O2S/c1-12-6-5-8-16(19)18(12)24(22,23)21-13(2)10-14-11-20-17-9-4-3-7-15(14)17/h3-9,11,13,20-21H,10H2,1-2H3/p+1
InChIKeySEVDQAFWIZJRNN-UHFFFAOYSA-O
XLogP3.01
TPSA66.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.89
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dibromo-3,6-dichloro-N-[1-(1H-indol-3-yl)propan-2-yl]benzenesulfonamide
CID 10325022
3-(2-fluoropropyl)-1H-indole
CID 142409179
2-[(2-chlorophenyl)methyl]-3-(1H-indol-3-yl)propanal
CID 174572112
3-(1H-indol-3-yl)-2-(2-methylphenyl)propan-1-amine
CID 82091562
1-(1H-indol-3-yl)propan-2-amine;dihydrochloride
CID 141487070
(2S)-2-[(3,5-dichloro-4-propan-2-yloxyphenyl)methylamino]-3-(1H-indol-3-yl)propanoic acid
CID 51997906
3-(3-bromo-2-fluoropropyl)-1H-indole
CID 134163131
1-(1H-indol-3-ylmethylamino)ethanesulfonic acid
CID 177255984
ethyl (2S)-3-(1H-indol-3-yl)-2-methylpropanoate
CID 170617475
ethane;methyl 3-(1H-indol-3-yl)-2-methylpropanoate
CID 169189360
(2S)-2-amino-N-(2,6-dichlorophenyl)-3-(1H-indol-3-yl)propanamide
CID 22691619
(2R)-2-[(2-chloro-6-fluorophenyl)methylcarbamoylamino]-3-(1H-indol-3-yl)propanoic acid
CID 51519517

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-methylphenyl)sulfonyl-[1-(1H-indol-3-yl)propan-2-yl]azanium?
The IUPAC name of (2-chloro-6-methylphenyl)sulfonyl-[1-(1H-indol-3-yl)propan-2-yl]azanium (CID 142868385) is (2-chloro-6-methylphenyl)sulfonyl-[1-(1H-indol-3-yl)propan-2-yl]azanium.
What is the SMILES notation for (2-chloro-6-methylphenyl)sulfonyl-[1-(1H-indol-3-yl)propan-2-yl]azanium?
The canonical SMILES for (2-chloro-6-methylphenyl)sulfonyl-[1-(1H-indol-3-yl)propan-2-yl]azanium is Cc1cccc(Cl)c1S(=O)(=O)[NH2+]C(C)Cc1c[nH]c2ccccc12.
What is the InChIKey of (2-chloro-6-methylphenyl)sulfonyl-[1-(1H-indol-3-yl)propan-2-yl]azanium?
The InChIKey is SEVDQAFWIZJRNN-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H19ClN2O2S/c1-12-6-5-8-16(19)18(12)24(22,23)21-13(2)10-14-11-20-17-9-4-3-7-15(14)17/h3-9,11,13,20-21H,10H2,1-2H3/p+1.
What are the key properties of (2-chloro-6-methylphenyl)sulfonyl-[1-(1H-indol-3-yl)propan-2-yl]azanium?
(2-chloro-6-methylphenyl)sulfonyl-[1-(1H-indol-3-yl)propan-2-yl]azanium has a molecular weight of 363.89 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-methylphenyl)sulfonyl-[1-(1H-indol-3-yl)propan-2-yl]azanium is sourced from PubChem (CID 142868385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).