3-[(1S)-1-(1H-indazol-5-ylamino)ethyl]-N,N-dimethylbenzenesulfonamide

C17H20N4O2S — CID 97338549

IUPAC3-[(1S)-1-(1H-indazol-5-ylamino)ethyl]-N,N-dimethylbenzenesulfonamide
SMILESC[C@H](Nc1ccc2[nH]ncc2c1)c1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C17H20N4O2S/c1-12(19-15-7-8-17-14(9-15)11-18-20-17)13-5-4-6-16(10-13)24(22,23)21(2)3/h4-12,19H,1-3H3,(H,18,20)/t12-/m0/s1
InChIKeyCHSPMUWTCMJNCO-LBPRGKRZSA-N
MW344.44 g/mol
LogP2.99
Rot. Bonds5

About 3-[(1S)-1-(1H-indazol-5-ylamino)ethyl]-N,N-dimethylbenzenesulfonamide

3-[(1S)-1-(1H-indazol-5-ylamino)ethyl]-N,N-dimethylbenzenesulfonamide (PubChem CID 97338549) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is 3-[(1S)-1-(1H-indazol-5-ylamino)ethyl]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-[(1S)-1-(1H-indazol-5-ylamino)ethyl]-N,N-dimethylbenzenesulfonamide
PubChem CID97338549
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC Name3-[(1S)-1-(1H-indazol-5-ylamino)ethyl]-N,N-dimethylbenzenesulfonamide
SMILESC[C@H](Nc1ccc2[nH]ncc2c1)c1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C17H20N4O2S/c1-12(19-15-7-8-17-14(9-15)11-18-20-17)13-5-4-6-16(10-13)24(22,23)21(2)3/h4-12,19H,1-3H3,(H,18,20)/t12-/m0/s1
InChIKeyCHSPMUWTCMJNCO-LBPRGKRZSA-N
XLogP2.99
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-fluorophenyl)ethyl]-1H-indazol-5-amine
CID 43691008
N-[4-[1-(1H-indazol-5-ylamino)ethyl]phenyl]ethanesulfonamide
CID 75516896
N-[1-(5-fluoro-3-pyridinyl)ethyl]-1H-indazol-5-amine
CID 103932201
1-[3-(dimethylsulfamoyl)phenyl]-3-(1H-indazol-6-yl)thiourea
CID 4235162
N,N-dimethyl-3-[1-[(5-oxo-6,7-dihydrocyclopenta[b]pyridin-2-yl)amino]ethyl]benzenesulfonamide
CID 146132988
N,N-dimethyl-3-[1-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzenesulfonamide
CID 167897810
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1H-indazol-5-amine
CID 43691017
N-[1-(3-bromophenyl)propyl]-1H-indazol-5-amine
CID 43782693
N,N-dimethyl-3-[[5-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]amino]benzenesulfonamide
CID 121475823
2-ethyl-N-(1H-indazol-5-yl)butanamide
CID 17164523
3-[1-(3,4-dimethylanilino)ethyl]benzenesulfonamide
CID 43761911
3-[1-[(4-methoxycyclohexyl)amino]ethyl]-N,N-dimethylbenzenesulfonamide
CID 91660415

Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-1-(1H-indazol-5-ylamino)ethyl]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 3-[(1S)-1-(1H-indazol-5-ylamino)ethyl]-N,N-dimethylbenzenesulfonamide (CID 97338549) is 3-[(1S)-1-(1H-indazol-5-ylamino)ethyl]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-[(1S)-1-(1H-indazol-5-ylamino)ethyl]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 3-[(1S)-1-(1H-indazol-5-ylamino)ethyl]-N,N-dimethylbenzenesulfonamide is C[C@H](Nc1ccc2[nH]ncc2c1)c1cccc(S(=O)(=O)N(C)C)c1.
What is the InChIKey of 3-[(1S)-1-(1H-indazol-5-ylamino)ethyl]-N,N-dimethylbenzenesulfonamide?
The InChIKey is CHSPMUWTCMJNCO-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-12(19-15-7-8-17-14(9-15)11-18-20-17)13-5-4-6-16(10-13)24(22,23)21(2)3/h4-12,19H,1-3H3,(H,18,20)/t12-/m0/s1.
What are the key properties of 3-[(1S)-1-(1H-indazol-5-ylamino)ethyl]-N,N-dimethylbenzenesulfonamide?
3-[(1S)-1-(1H-indazol-5-ylamino)ethyl]-N,N-dimethylbenzenesulfonamide has a molecular weight of 344.44 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S)-1-(1H-indazol-5-ylamino)ethyl]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 97338549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).