4-[(4-chloro-1-methylindazol-3-yl)methyl]piperazine-1-sulfonamide

C13H18ClN5O2S — CID 77078858

IUPAC4-[(4-chloro-1-methylindazol-3-yl)methyl]piperazine-1-sulfonamide
SMILESCn1nc(CN2CCN(S(N)(=O)=O)CC2)c2c(Cl)cccc21
InChIInChI=1S/C13H18ClN5O2S/c1-17-12-4-2-3-10(14)13(12)11(16-17)9-18-5-7-19(8-6-18)22(15,20)21/h2-4H,5-9H2,1H3,(H2,15,20,21)
InChIKeyYUCSGDYGABNTQG-UHFFFAOYSA-N
MW343.84 g/mol
LogP0.55
Rot. Bonds3

About 4-[(4-chloro-1-methylindazol-3-yl)methyl]piperazine-1-sulfonamide

4-[(4-chloro-1-methylindazol-3-yl)methyl]piperazine-1-sulfonamide (PubChem CID 77078858) has the molecular formula C13H18ClN5O2S and a molecular weight of 343.84 g/mol. Its IUPAC name is 4-[(4-chloro-1-methylindazol-3-yl)methyl]piperazine-1-sulfonamide.

Molecular Properties

Compound Name4-[(4-chloro-1-methylindazol-3-yl)methyl]piperazine-1-sulfonamide
PubChem CID77078858
Molecular FormulaC13H18ClN5O2S
Molecular Weight343.84 g/mol
Exact Mass343.09
IUPAC Name4-[(4-chloro-1-methylindazol-3-yl)methyl]piperazine-1-sulfonamide
SMILESCn1nc(CN2CCN(S(N)(=O)=O)CC2)c2c(Cl)cccc21
InChIInChI=1S/C13H18ClN5O2S/c1-17-12-4-2-3-10(14)13(12)11(16-17)9-18-5-7-19(8-6-18)22(15,20)21/h2-4H,5-9H2,1H3,(H2,15,20,21)
InChIKeyYUCSGDYGABNTQG-UHFFFAOYSA-N
XLogP0.55
TPSA84.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.84
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2,6-dichlorophenyl)methyl]piperazine-1-sulfonamide
CID 47147117
(3S,4R)-1-[(4-chloro-1-methylindazol-3-yl)methyl]-N,N-dimethyl-4-propan-2-ylpyrrolidin-3-amine
CID 72920842
(4S,9aR)-8-[(4-chloro-1-methylindazol-3-yl)methyl]-4-cyclopropyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine
CID 154821468
(4S)-8-[(4-chloro-1-methylindazol-3-yl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97210187
[(3R,4R)-1-[(4-chloro-1-methylindazol-3-yl)methyl]-4-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-3-yl]methanol
CID 72872412
4-chloro-1-methyl-3-[[(1S,5R)-6-methyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]indazole
CID 70783312
(3S,4S)-1-[(4-chloro-1-methylindazol-3-yl)methyl]-4-(dimethylamino)pyrrolidin-3-ol
CID 77090552
4-[(3R)-1-[(4-chloro-1-methylindazol-3-yl)methyl]piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136762318
4-chloro-3-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-1-methylindazole
CID 77085597
(3R,4S)-1-[(4-chloro-1-methylindazol-3-yl)methyl]-3-hydroxy-4-propylpiperidine-4-carboxylic acid
CID 163314460
(3S,4R)-1-[(4-chloro-1-methylindazol-3-yl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol
CID 134705191
N-(4-chloro-1-methylindazol-3-yl)-3-(4-methylpiperazin-1-yl)propanamide
CID 162635235

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-1-methylindazol-3-yl)methyl]piperazine-1-sulfonamide?
The IUPAC name of 4-[(4-chloro-1-methylindazol-3-yl)methyl]piperazine-1-sulfonamide (CID 77078858) is 4-[(4-chloro-1-methylindazol-3-yl)methyl]piperazine-1-sulfonamide.
What is the SMILES notation for 4-[(4-chloro-1-methylindazol-3-yl)methyl]piperazine-1-sulfonamide?
The canonical SMILES for 4-[(4-chloro-1-methylindazol-3-yl)methyl]piperazine-1-sulfonamide is Cn1nc(CN2CCN(S(N)(=O)=O)CC2)c2c(Cl)cccc21.
What is the InChIKey of 4-[(4-chloro-1-methylindazol-3-yl)methyl]piperazine-1-sulfonamide?
The InChIKey is YUCSGDYGABNTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN5O2S/c1-17-12-4-2-3-10(14)13(12)11(16-17)9-18-5-7-19(8-6-18)22(15,20)21/h2-4H,5-9H2,1H3,(H2,15,20,21).
What are the key properties of 4-[(4-chloro-1-methylindazol-3-yl)methyl]piperazine-1-sulfonamide?
4-[(4-chloro-1-methylindazol-3-yl)methyl]piperazine-1-sulfonamide has a molecular weight of 343.84 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-1-methylindazol-3-yl)methyl]piperazine-1-sulfonamide is sourced from PubChem (CID 77078858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).