N-[1-[[3-(aminomethyl)phenyl]methyl]-4-methoxyindazol-3-yl]-5-chlorothiophene-2-sulfonamide

C20H19ClN4O3S2 — CID 59455974

IUPACN-[1-[[3-(aminomethyl)phenyl]methyl]-4-methoxyindazol-3-yl]-5-chlorothiophene-2-sulfonamide
SMILESCOc1cccc2c1c(NS(=O)(=O)c1ccc(Cl)s1)nn2Cc1cccc(CN)c1
InChIInChI=1S/C20H19ClN4O3S2/c1-28-16-7-3-6-15-19(16)20(24-30(26,27)18-9-8-17(21)29-18)23-25(15)12-14-5-2-4-13(10-14)11-22/h2-10H,11-12,22H2,1H3,(H,23,24)
InChIKeyRFGAKHZYGOSPPE-UHFFFAOYSA-N
MW462.98 g/mol
LogP4.07
Rot. Bonds7

About N-[1-[[3-(aminomethyl)phenyl]methyl]-4-methoxyindazol-3-yl]-5-chlorothiophene-2-sulfonamide

N-[1-[[3-(aminomethyl)phenyl]methyl]-4-methoxyindazol-3-yl]-5-chlorothiophene-2-sulfonamide (PubChem CID 59455974) has the molecular formula C20H19ClN4O3S2 and a molecular weight of 462.98 g/mol. Its IUPAC name is N-[1-[[3-(aminomethyl)phenyl]methyl]-4-methoxyindazol-3-yl]-5-chlorothiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[1-[[3-(aminomethyl)phenyl]methyl]-4-methoxyindazol-3-yl]-5-chlorothiophene-2-sulfonamide
PubChem CID59455974
Molecular FormulaC20H19ClN4O3S2
Molecular Weight462.98 g/mol
Exact Mass462.06
IUPAC NameN-[1-[[3-(aminomethyl)phenyl]methyl]-4-methoxyindazol-3-yl]-5-chlorothiophene-2-sulfonamide
SMILESCOc1cccc2c1c(NS(=O)(=O)c1ccc(Cl)s1)nn2Cc1cccc(CN)c1
InChIInChI=1S/C20H19ClN4O3S2/c1-28-16-7-3-6-15-19(16)20(24-30(26,27)18-9-8-17(21)29-18)23-25(15)12-14-5-2-4-13(10-14)11-22/h2-10H,11-12,22H2,1H3,(H,23,24)
InChIKeyRFGAKHZYGOSPPE-UHFFFAOYSA-N
XLogP4.07
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.98
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-((3-((3-(((5-chloro-2-thienyl)sulfonyl)amino)-4-(methyloxy)-1H-indazol-1-yl)methyl)phenyl)methyl)-2-hydroxy-2-methylpropanamide
CID 46861584
N-[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]-2-hydroxyacetamide
CID 71462571
N-[[3-[[3-[(3-chlorophenyl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]-2-hydroxy-2-methylpropanamide
CID 56848674
(3S)-N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]morpholine-3-carboxamide
CID 58054368
(3R)-N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]morpholine-3-carboxamide
CID 58054475
3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]-N,N-dimethylbenzamide
CID 58054487
N-[(4-{[3-{[(5-Chloro-2-thienyl)sulfonyl]amino}-4-(methyloxy)-1H-indazol-1-yl]methyl}phenyl)methyl]acetamide
CID 58054491
N-[1-{[3,4-Bis(methyloxy)phenyl]methyl}-4-(methyloxy)-1H-indazol-3-yl]-5-chloro-2-thiophenesulfonamide
CID 58054516
3-{[3-{[(5-Chloro-2-thienyl)sulfonyl]amino}-4-(methyloxy)-1H-indazol-1-yl]methyl}-N-methylbenzamide
CID 58054532
5-chloro-N-[4-methoxy-1-[(2-methoxyphenyl)methyl]indazol-3-yl]thiophene-2-sulfonamide
CID 59455973
(2R)-N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]-2-(methylamino)propanamide
CID 59455988
N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-6-fluoro-4-methoxyindazol-1-yl]methyl]phenyl]methyl]acetamide
CID 59455990

Frequently Asked Questions

What is the IUPAC name of N-[1-[[3-(aminomethyl)phenyl]methyl]-4-methoxyindazol-3-yl]-5-chlorothiophene-2-sulfonamide?
The IUPAC name of N-[1-[[3-(aminomethyl)phenyl]methyl]-4-methoxyindazol-3-yl]-5-chlorothiophene-2-sulfonamide (CID 59455974) is N-[1-[[3-(aminomethyl)phenyl]methyl]-4-methoxyindazol-3-yl]-5-chlorothiophene-2-sulfonamide.
What is the SMILES notation for N-[1-[[3-(aminomethyl)phenyl]methyl]-4-methoxyindazol-3-yl]-5-chlorothiophene-2-sulfonamide?
The canonical SMILES for N-[1-[[3-(aminomethyl)phenyl]methyl]-4-methoxyindazol-3-yl]-5-chlorothiophene-2-sulfonamide is COc1cccc2c1c(NS(=O)(=O)c1ccc(Cl)s1)nn2Cc1cccc(CN)c1.
What is the InChIKey of N-[1-[[3-(aminomethyl)phenyl]methyl]-4-methoxyindazol-3-yl]-5-chlorothiophene-2-sulfonamide?
The InChIKey is RFGAKHZYGOSPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O3S2/c1-28-16-7-3-6-15-19(16)20(24-30(26,27)18-9-8-17(21)29-18)23-25(15)12-14-5-2-4-13(10-14)11-22/h2-10H,11-12,22H2,1H3,(H,23,24).
What are the key properties of N-[1-[[3-(aminomethyl)phenyl]methyl]-4-methoxyindazol-3-yl]-5-chlorothiophene-2-sulfonamide?
N-[1-[[3-(aminomethyl)phenyl]methyl]-4-methoxyindazol-3-yl]-5-chlorothiophene-2-sulfonamide has a molecular weight of 462.98 g/mol, XLogP of 4.07, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[3-(aminomethyl)phenyl]methyl]-4-methoxyindazol-3-yl]-5-chlorothiophene-2-sulfonamide is sourced from PubChem (CID 59455974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).