9-(2-fluorophenyl)sulfonyl-6-methoxy-N,N-dimethyl-1,2,3,4-tetrahydrocarbazol-3-amine

C21H23FN2O3S — CID 71456942

IUPAC9-(2-fluorophenyl)sulfonyl-6-methoxy-N,N-dimethyl-1,2,3,4-tetrahydrocarbazol-3-amine
SMILESCOc1ccc2c(c1)c1c(n2S(=O)(=O)c2ccccc2F)CCC(N(C)C)C1
InChIInChI=1S/C21H23FN2O3S/c1-23(2)14-8-10-19-16(12-14)17-13-15(27-3)9-11-20(17)24(19)28(25,26)21-7-5-4-6-18(21)22/h4-7,9,11,13-14H,8,10,12H2,1-3H3
InChIKeyXJAYGMZKCTVDCR-UHFFFAOYSA-N
MW402.49 g/mol
LogP3.44
Rot. Bonds4

About 9-(2-fluorophenyl)sulfonyl-6-methoxy-N,N-dimethyl-1,2,3,4-tetrahydrocarbazol-3-amine

9-(2-fluorophenyl)sulfonyl-6-methoxy-N,N-dimethyl-1,2,3,4-tetrahydrocarbazol-3-amine (PubChem CID 71456942) has the molecular formula C21H23FN2O3S and a molecular weight of 402.49 g/mol. Its IUPAC name is 9-(2-fluorophenyl)sulfonyl-6-methoxy-N,N-dimethyl-1,2,3,4-tetrahydrocarbazol-3-amine.

Molecular Properties

Compound Name9-(2-fluorophenyl)sulfonyl-6-methoxy-N,N-dimethyl-1,2,3,4-tetrahydrocarbazol-3-amine
PubChem CID71456942
Molecular FormulaC21H23FN2O3S
Molecular Weight402.49 g/mol
Exact Mass402.14
IUPAC Name9-(2-fluorophenyl)sulfonyl-6-methoxy-N,N-dimethyl-1,2,3,4-tetrahydrocarbazol-3-amine
SMILESCOc1ccc2c(c1)c1c(n2S(=O)(=O)c2ccccc2F)CCC(N(C)C)C1
InChIInChI=1S/C21H23FN2O3S/c1-23(2)14-8-10-19-16(12-14)17-13-15(27-3)9-11-20(17)24(19)28(25,26)21-7-5-4-6-18(21)22/h4-7,9,11,13-14H,8,10,12H2,1-3H3
InChIKeyXJAYGMZKCTVDCR-UHFFFAOYSA-N
XLogP3.44
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-(2-bromophenyl)sulfonyl-6-methoxy-N,N-dimethyl-1,2,3,4-tetrahydrocarbazol-3-amine
CID 71455149
9-(4-fluorophenyl)sulfonyl-N,N-dimethyl-1,2,3,4-tetrahydrocarbazol-3-amine;hydrochloride
CID 73348100
9-[3-(3-methoxyphenyl)propyl]-N,N-dimethyl-1,2,3,4-tetrahydrocarbazol-3-amine
CID 23470193
1-(2-fluorophenyl)sulfonyl-2-(4-methoxyphenyl)azepane
CID 53096243
2-fluoro-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide
CID 60643138
9-[4-(3,6-dimethoxycarbazol-9-yl)sulfonylphenyl]-3,6-dimethoxycarbazole
CID 146530442
1-(2-fluorophenyl)sulfonyl-4-(3-methoxyphenyl)piperazine
CID 3799087
2-[1-(2-bromophenyl)sulfonyl-5-methoxy-2-methylindol-3-yl]oxy-N,N-dimethylethanamine
CID 68692673
10-(benzenesulfonyl)-6,19-dimethoxy-18-phenylmethoxy-10,13-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-3(11),4(9),5,7,16,18,20-heptaene
CID 131978706
N-[6-(dimethylamino)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl]-2,5-difluorobenzenesulfonamide
CID 73204327
2-[3-(dimethylamino)-6,7-dimethoxy-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid
CID 23470320
2-[(3S)-6-fluoro-3-[3-(3-methoxyphenyl)propanoyl-methylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]butanoic acid
CID 67205669

Frequently Asked Questions

What is the IUPAC name of 9-(2-fluorophenyl)sulfonyl-6-methoxy-N,N-dimethyl-1,2,3,4-tetrahydrocarbazol-3-amine?
The IUPAC name of 9-(2-fluorophenyl)sulfonyl-6-methoxy-N,N-dimethyl-1,2,3,4-tetrahydrocarbazol-3-amine (CID 71456942) is 9-(2-fluorophenyl)sulfonyl-6-methoxy-N,N-dimethyl-1,2,3,4-tetrahydrocarbazol-3-amine.
What is the SMILES notation for 9-(2-fluorophenyl)sulfonyl-6-methoxy-N,N-dimethyl-1,2,3,4-tetrahydrocarbazol-3-amine?
The canonical SMILES for 9-(2-fluorophenyl)sulfonyl-6-methoxy-N,N-dimethyl-1,2,3,4-tetrahydrocarbazol-3-amine is COc1ccc2c(c1)c1c(n2S(=O)(=O)c2ccccc2F)CCC(N(C)C)C1.
What is the InChIKey of 9-(2-fluorophenyl)sulfonyl-6-methoxy-N,N-dimethyl-1,2,3,4-tetrahydrocarbazol-3-amine?
The InChIKey is XJAYGMZKCTVDCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O3S/c1-23(2)14-8-10-19-16(12-14)17-13-15(27-3)9-11-20(17)24(19)28(25,26)21-7-5-4-6-18(21)22/h4-7,9,11,13-14H,8,10,12H2,1-3H3.
What are the key properties of 9-(2-fluorophenyl)sulfonyl-6-methoxy-N,N-dimethyl-1,2,3,4-tetrahydrocarbazol-3-amine?
9-(2-fluorophenyl)sulfonyl-6-methoxy-N,N-dimethyl-1,2,3,4-tetrahydrocarbazol-3-amine has a molecular weight of 402.49 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-fluorophenyl)sulfonyl-6-methoxy-N,N-dimethyl-1,2,3,4-tetrahydrocarbazol-3-amine is sourced from PubChem (CID 71456942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).