3-[1-(dimethylsulfamoylamino)-2-methylpropan-2-yl]-6-fluoro-1H-indole

C14H20FN3O2S — CID 113084495

IUPAC3-[1-(dimethylsulfamoylamino)-2-methylpropan-2-yl]-6-fluoro-1H-indole
SMILESCN(C)S(=O)(=O)NCC(C)(C)c1c[nH]c2cc(F)ccc12
InChIInChI=1S/C14H20FN3O2S/c1-14(2,9-17-21(19,20)18(3)4)12-8-16-13-7-10(15)5-6-11(12)13/h5-8,16-17H,9H2,1-4H3
InChIKeyWDYMECXHNCIKRU-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.98
Rot. Bonds5

About 3-[1-(dimethylsulfamoylamino)-2-methylpropan-2-yl]-6-fluoro-1H-indole

3-[1-(dimethylsulfamoylamino)-2-methylpropan-2-yl]-6-fluoro-1H-indole (PubChem CID 113084495) has the molecular formula C14H20FN3O2S and a molecular weight of 313.40 g/mol. Its IUPAC name is 3-[1-(dimethylsulfamoylamino)-2-methylpropan-2-yl]-6-fluoro-1H-indole.

Molecular Properties

Compound Name3-[1-(dimethylsulfamoylamino)-2-methylpropan-2-yl]-6-fluoro-1H-indole
PubChem CID113084495
Molecular FormulaC14H20FN3O2S
Molecular Weight313.40 g/mol
Exact Mass313.13
IUPAC Name3-[1-(dimethylsulfamoylamino)-2-methylpropan-2-yl]-6-fluoro-1H-indole
SMILESCN(C)S(=O)(=O)NCC(C)(C)c1c[nH]c2cc(F)ccc12
InChIInChI=1S/C14H20FN3O2S/c1-14(2,9-17-21(19,20)18(3)4)12-8-16-13-7-10(15)5-6-11(12)13/h5-8,16-17H,9H2,1-4H3
InChIKeyWDYMECXHNCIKRU-UHFFFAOYSA-N
XLogP1.98
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]methanesulfonamide
CID 113084491
N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]propane-1-sulfonamide
CID 113084493
3-[1-(dimethylsulfamoylamino)-2-methylpropan-2-yl]-1H-indole
CID 113084118
4-fluoro-N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]-2-methylbenzenesulfonamide
CID 113084507
4-fluoro-N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]-3-methylbenzenesulfonamide
CID 113084506
N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]-1,3-benzodioxole-5-sulfonamide
CID 113084511
3-(6-fluoro-1H-indol-3-yl)-3-methylbutanoic acid
CID 84628087
N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]cyclobutanecarboxamide
CID 113084487
N-[2-(5-chloro-1H-indol-3-yl)-2-methylpropyl]-4-fluorobenzenesulfonamide
CID 113084321
N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]-2-thiophen-2-ylacetamide
CID 113084455
2-(6-fluoro-1H-indol-3-yl)-2-methylpropanoic acid
CID 82278305
N-[2-(6-chloro-1H-indol-3-yl)-2-methylpropyl]butane-1-sulfonamide
CID 113084580

Frequently Asked Questions

What is the IUPAC name of 3-[1-(dimethylsulfamoylamino)-2-methylpropan-2-yl]-6-fluoro-1H-indole?
The IUPAC name of 3-[1-(dimethylsulfamoylamino)-2-methylpropan-2-yl]-6-fluoro-1H-indole (CID 113084495) is 3-[1-(dimethylsulfamoylamino)-2-methylpropan-2-yl]-6-fluoro-1H-indole.
What is the SMILES notation for 3-[1-(dimethylsulfamoylamino)-2-methylpropan-2-yl]-6-fluoro-1H-indole?
The canonical SMILES for 3-[1-(dimethylsulfamoylamino)-2-methylpropan-2-yl]-6-fluoro-1H-indole is CN(C)S(=O)(=O)NCC(C)(C)c1c[nH]c2cc(F)ccc12.
What is the InChIKey of 3-[1-(dimethylsulfamoylamino)-2-methylpropan-2-yl]-6-fluoro-1H-indole?
The InChIKey is WDYMECXHNCIKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O2S/c1-14(2,9-17-21(19,20)18(3)4)12-8-16-13-7-10(15)5-6-11(12)13/h5-8,16-17H,9H2,1-4H3.
What are the key properties of 3-[1-(dimethylsulfamoylamino)-2-methylpropan-2-yl]-6-fluoro-1H-indole?
3-[1-(dimethylsulfamoylamino)-2-methylpropan-2-yl]-6-fluoro-1H-indole has a molecular weight of 313.40 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(dimethylsulfamoylamino)-2-methylpropan-2-yl]-6-fluoro-1H-indole is sourced from PubChem (CID 113084495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).