N-(7-bromo-4-chloro-1-methylindazol-3-yl)methanesulfonamide

C9H9BrClN3O2S — CID 135371342

IUPACN-(7-bromo-4-chloro-1-methylindazol-3-yl)methanesulfonamide
SMILESCn1nc(NS(C)(=O)=O)c2c(Cl)ccc(Br)c21
InChIInChI=1S/C9H9BrClN3O2S/c1-14-8-5(10)3-4-6(11)7(8)9(12-14)13-17(2,15)16/h3-4H,1-2H3,(H,12,13)
InChIKeyIMCFAWQUNZCDHB-UHFFFAOYSA-N
MW338.61 g/mol
LogP2.36
Rot. Bonds2

About N-(7-bromo-4-chloro-1-methylindazol-3-yl)methanesulfonamide

N-(7-bromo-4-chloro-1-methylindazol-3-yl)methanesulfonamide (PubChem CID 135371342) has the molecular formula C9H9BrClN3O2S and a molecular weight of 338.61 g/mol. Its IUPAC name is N-(7-bromo-4-chloro-1-methylindazol-3-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(7-bromo-4-chloro-1-methylindazol-3-yl)methanesulfonamide
PubChem CID135371342
Molecular FormulaC9H9BrClN3O2S
Molecular Weight338.61 g/mol
Exact Mass336.93
IUPAC NameN-(7-bromo-4-chloro-1-methylindazol-3-yl)methanesulfonamide
SMILESCn1nc(NS(C)(=O)=O)c2c(Cl)ccc(Br)c21
InChIInChI=1S/C9H9BrClN3O2S/c1-14-8-5(10)3-4-6(11)7(8)9(12-14)13-17(2,15)16/h3-4H,1-2H3,(H,12,13)
InChIKeyIMCFAWQUNZCDHB-UHFFFAOYSA-N
XLogP2.36
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.61
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-1-methyl-7-nitroindazol-3-amine;N-(4-chloro-1-methyl-7-nitroindazol-3-yl)methanesulfonamide;N-(4-chloro-1-methyl-7-nitroindazol-3-yl)-N-methylsulfonylmethanesulfonamide;methane
CID 163754779
N-[7-[5-amino-2-[(1S)-1-amino-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-4-chloro-1-methylindazol-3-yl]methanesulfonamide
CID 90281578
[1-[5-bromo-3-[4-chloro-3-(methanesulfonamido)-1-methylindazol-7-yl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-tert-butylcarbamic acid
CID 118955195
N-[7-[6-[1-amino-2-(3,5-difluorophenyl)ethyl]-1H-pyrazolo[3,4-b]pyridin-5-yl]-4-chloro-1-methylindazol-3-yl]methanesulfonamide;hydrochloride
CID 135370986
N-[(1S)-1-[6-chloro-3-[4-chloro-3-(methanesulfonamido)-1-methylindazol-7-yl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2,2,2-trifluoroacetamide
CID 90281429
N-[1-[6-chloro-3-[4-chloro-3-(methanesulfonamido)-1-methylindazol-7-yl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2,2,2-trifluoroacetamide
CID 90281430
tert-butyl N-[(1S)-1-[5-amino-6-bromo-3-[4-chloro-3-(methanesulfonamido)-1-methylindazol-7-yl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]carbamate
CID 90290198
N-[7-[5-amino-2-[(1S)-1-amino-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-4-chloro-1-methylindazol-3-yl]methanesulfonamide;2,2,2-trifluoroacetic acid
CID 131732937
N-[(1S)-1-[3-[4-chloro-3-(methanesulfonamido)-1-methylindazol-7-yl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2,2,2-trifluoroacetamide
CID 90281453
N-[7-[2-[(1S)-1-amino-2-(3,5-difluorophenyl)ethyl]-5-fluoro-7-methyl-4-oxoquinazolin-3-yl]-4-chloro-1-methylindazol-3-yl]methanesulfonamide
CID 135372666
tert-butyl N-[1-[3-[4-chloro-3-(methanesulfonamido)-1-methylindazol-7-yl]quinoxalin-2-yl]-2-(3,5-difluorophenyl)ethyl]carbamate
CID 142466289
tert-butyl N-[(1S)-1-[3-[4-chloro-3-(methanesulfonamido)-1-methylindazol-7-yl]quinoxalin-2-yl]-2-(3,5-difluorophenyl)ethyl]carbamate
CID 154628958

Frequently Asked Questions

What is the IUPAC name of N-(7-bromo-4-chloro-1-methylindazol-3-yl)methanesulfonamide?
The IUPAC name of N-(7-bromo-4-chloro-1-methylindazol-3-yl)methanesulfonamide (CID 135371342) is N-(7-bromo-4-chloro-1-methylindazol-3-yl)methanesulfonamide.
What is the SMILES notation for N-(7-bromo-4-chloro-1-methylindazol-3-yl)methanesulfonamide?
The canonical SMILES for N-(7-bromo-4-chloro-1-methylindazol-3-yl)methanesulfonamide is Cn1nc(NS(C)(=O)=O)c2c(Cl)ccc(Br)c21.
What is the InChIKey of N-(7-bromo-4-chloro-1-methylindazol-3-yl)methanesulfonamide?
The InChIKey is IMCFAWQUNZCDHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrClN3O2S/c1-14-8-5(10)3-4-6(11)7(8)9(12-14)13-17(2,15)16/h3-4H,1-2H3,(H,12,13).
What are the key properties of N-(7-bromo-4-chloro-1-methylindazol-3-yl)methanesulfonamide?
N-(7-bromo-4-chloro-1-methylindazol-3-yl)methanesulfonamide has a molecular weight of 338.61 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-bromo-4-chloro-1-methylindazol-3-yl)methanesulfonamide is sourced from PubChem (CID 135371342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).