N-[3-(3,6-dibromocarbazol-9-yl)propyl]-1-fluoro-N-(3-methoxyphenyl)methanesulfonamide

C23H21Br2FN2O3S — CID 122415318

IUPACN-[3-(3,6-dibromocarbazol-9-yl)propyl]-1-fluoro-N-(3-methoxyphenyl)methanesulfonamide
SMILESCOc1cccc(N(CCCn2c3ccc(Br)cc3c3cc(Br)ccc32)S(=O)(=O)CF)c1
InChIInChI=1S/C23H21Br2FN2O3S/c1-31-19-5-2-4-18(14-19)28(32(29,30)15-26)11-3-10-27-22-8-6-16(24)12-20(22)21-13-17(25)7-9-23(21)27/h2,4-9,12-14H,3,10-11,15H2,1H3
InChIKeyQSXXZRANHCSDCL-UHFFFAOYSA-N
MW584.31 g/mol
LogP6.48
Rot. Bonds8

About N-[3-(3,6-dibromocarbazol-9-yl)propyl]-1-fluoro-N-(3-methoxyphenyl)methanesulfonamide

N-[3-(3,6-dibromocarbazol-9-yl)propyl]-1-fluoro-N-(3-methoxyphenyl)methanesulfonamide (PubChem CID 122415318) has the molecular formula C23H21Br2FN2O3S and a molecular weight of 584.31 g/mol. Its IUPAC name is N-[3-(3,6-dibromocarbazol-9-yl)propyl]-1-fluoro-N-(3-methoxyphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[3-(3,6-dibromocarbazol-9-yl)propyl]-1-fluoro-N-(3-methoxyphenyl)methanesulfonamide
PubChem CID122415318
Molecular FormulaC23H21Br2FN2O3S
Molecular Weight584.31 g/mol
Exact Mass581.96
IUPAC NameN-[3-(3,6-dibromocarbazol-9-yl)propyl]-1-fluoro-N-(3-methoxyphenyl)methanesulfonamide
SMILESCOc1cccc(N(CCCn2c3ccc(Br)cc3c3cc(Br)ccc32)S(=O)(=O)CF)c1
InChIInChI=1S/C23H21Br2FN2O3S/c1-31-19-5-2-4-18(14-19)28(32(29,30)15-26)11-3-10-27-22-8-6-16(24)12-20(22)21-13-17(25)7-9-23(21)27/h2,4-9,12-14H,3,10-11,15H2,1H3
InChIKeyQSXXZRANHCSDCL-UHFFFAOYSA-N
XLogP6.48
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.31
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,6-Dibromocarbazol-9-yl)-3-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]propan-2-ol
CID 9938353
6-bromo-9-(4-methoxyphenyl)sulfonyl-N,N-dimethyl-1,2,3,4-tetrahydrocarbazol-3-amine
CID 16222654
N-(3-(3,6-dibromo-9H-carbazol-9-yl)-2-fluoropropyl)-3-methoxyaniline
CID 46853447
1-(6-bromo-9-ethylcarbazol-3-yl)-N-[(2-methoxyphenyl)methyl]methanamine
CID 86298704
(R)-1-(3,6-dibromo-9H-carbazol-9-yl)-3-((3-methoxyphenyl)amino)propan-2-ol
CID 1100216
3,6-Dibromo-9-(4-methoxyphenyl)-9H-carbazole
CID 58620860
N-[3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]-N-(3-methoxyphenyl)-4-methylbenzenesulfonamide
CID 72696610
P7C3-OMe
CID 3103961
1-(3,6-dibromocarbazol-9-yl)-3-(3-methoxy-N-methylanilino)propan-2-ol
CID 46851385
N-(3-(3,6-dibromo-9H-carbazol-9-yl)-2-hydroxypropyl)-N-(3-methoxyphenyl)acetamide
CID 46853445
1-(3,6-Dibromo-9h-carbazol-9-yl)-3-(3-methoxyphenylamino)-propan-2-one
CID 46853448
N-(3-(3,6-dibromo-9H-carbazol-9-yl)-2-methoxypropyl)-3-methoxyaniline
CID 46853449

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,6-dibromocarbazol-9-yl)propyl]-1-fluoro-N-(3-methoxyphenyl)methanesulfonamide?
The IUPAC name of N-[3-(3,6-dibromocarbazol-9-yl)propyl]-1-fluoro-N-(3-methoxyphenyl)methanesulfonamide (CID 122415318) is N-[3-(3,6-dibromocarbazol-9-yl)propyl]-1-fluoro-N-(3-methoxyphenyl)methanesulfonamide.
What is the SMILES notation for N-[3-(3,6-dibromocarbazol-9-yl)propyl]-1-fluoro-N-(3-methoxyphenyl)methanesulfonamide?
The canonical SMILES for N-[3-(3,6-dibromocarbazol-9-yl)propyl]-1-fluoro-N-(3-methoxyphenyl)methanesulfonamide is COc1cccc(N(CCCn2c3ccc(Br)cc3c3cc(Br)ccc32)S(=O)(=O)CF)c1.
What is the InChIKey of N-[3-(3,6-dibromocarbazol-9-yl)propyl]-1-fluoro-N-(3-methoxyphenyl)methanesulfonamide?
The InChIKey is QSXXZRANHCSDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21Br2FN2O3S/c1-31-19-5-2-4-18(14-19)28(32(29,30)15-26)11-3-10-27-22-8-6-16(24)12-20(22)21-13-17(25)7-9-23(21)27/h2,4-9,12-14H,3,10-11,15H2,1H3.
What are the key properties of N-[3-(3,6-dibromocarbazol-9-yl)propyl]-1-fluoro-N-(3-methoxyphenyl)methanesulfonamide?
N-[3-(3,6-dibromocarbazol-9-yl)propyl]-1-fluoro-N-(3-methoxyphenyl)methanesulfonamide has a molecular weight of 584.31 g/mol, XLogP of 6.48, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,6-dibromocarbazol-9-yl)propyl]-1-fluoro-N-(3-methoxyphenyl)methanesulfonamide is sourced from PubChem (CID 122415318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).