N-[4-[2-[3-(aminomethyl)phenyl]ethoxy]-1H-indazol-3-yl]-5-chlorothiophene-2-sulfonamide

C20H19ClN4O3S2 — CID 66664271

IUPACN-[4-[2-[3-(aminomethyl)phenyl]ethoxy]-1H-indazol-3-yl]-5-chlorothiophene-2-sulfonamide
SMILESNCc1cccc(CCOc2cccc3[nH]nc(NS(=O)(=O)c4ccc(Cl)s4)c23)c1
InChIInChI=1S/C20H19ClN4O3S2/c21-17-7-8-18(29-17)30(26,27)25-20-19-15(23-24-20)5-2-6-16(19)28-10-9-13-3-1-4-14(11-13)12-22/h1-8,11H,9-10,12,22H2,(H2,23,24,25)
InChIKeyRUWPEJDQONKIQI-UHFFFAOYSA-N
MW462.98 g/mol
LogP4.16
Rot. Bonds8

About N-[4-[2-[3-(aminomethyl)phenyl]ethoxy]-1H-indazol-3-yl]-5-chlorothiophene-2-sulfonamide

N-[4-[2-[3-(aminomethyl)phenyl]ethoxy]-1H-indazol-3-yl]-5-chlorothiophene-2-sulfonamide (PubChem CID 66664271) has the molecular formula C20H19ClN4O3S2 and a molecular weight of 462.98 g/mol. Its IUPAC name is N-[4-[2-[3-(aminomethyl)phenyl]ethoxy]-1H-indazol-3-yl]-5-chlorothiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[4-[2-[3-(aminomethyl)phenyl]ethoxy]-1H-indazol-3-yl]-5-chlorothiophene-2-sulfonamide
PubChem CID66664271
Molecular FormulaC20H19ClN4O3S2
Molecular Weight462.98 g/mol
Exact Mass462.06
IUPAC NameN-[4-[2-[3-(aminomethyl)phenyl]ethoxy]-1H-indazol-3-yl]-5-chlorothiophene-2-sulfonamide
SMILESNCc1cccc(CCOc2cccc3[nH]nc(NS(=O)(=O)c4ccc(Cl)s4)c23)c1
InChIInChI=1S/C20H19ClN4O3S2/c21-17-7-8-18(29-17)30(26,27)25-20-19-15(23-24-20)5-2-6-16(19)28-10-9-13-3-1-4-14(11-13)12-22/h1-8,11H,9-10,12,22H2,(H2,23,24,25)
InChIKeyRUWPEJDQONKIQI-UHFFFAOYSA-N
XLogP4.16
TPSA110.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.98
LogP ≤ 54.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[[3-(aminomethyl)phenyl]methyl]-4-(2-hydroxypropan-2-yl)indazol-3-yl]-5-chlorothiophene-2-sulfonamide
CID 59456043
N-[1-[[3-[3-(1-aminocyclopropyl)-3-oxopropyl]phenyl]methyl]-4-methoxyindazol-3-yl]-5-chlorothiophene-2-sulfonamide
CID 58054381
5-chloro-N-pyrimidin-2-ylthiophene-2-sulfonamide
CID 19683573
2-amino-N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]acetamide
CID 59456070
5-chloro-N-(5-chlorothiophen-2-yl)sulfonyl-N-(4-methoxy-1H-indazol-3-yl)thiophene-2-sulfonamide
CID 58054454
(2S)-2-amino-N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]propanamide
CID 59456032
5-chloro-N-(5-ethyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide
CID 112699494
(2S)-2-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methylamino]-4-methylpentanamide
CID 71238003
5-chloro-N-[6-[(3-methylphenyl)methylamino]-3-pyridinyl]thiophene-2-sulfonamide
CID 113011734
5-chloro-N-[2-(2-chlorophenoxy)ethyl]thiophene-2-sulfonamide
CID 4916594
5-chloro-N-(2-naphthalen-1-yloxyethyl)thiophene-2-sulfonamide
CID 60542376
(2S)-N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]-2-(methylamino)propanamide
CID 59456106

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[3-(aminomethyl)phenyl]ethoxy]-1H-indazol-3-yl]-5-chlorothiophene-2-sulfonamide?
The IUPAC name of N-[4-[2-[3-(aminomethyl)phenyl]ethoxy]-1H-indazol-3-yl]-5-chlorothiophene-2-sulfonamide (CID 66664271) is N-[4-[2-[3-(aminomethyl)phenyl]ethoxy]-1H-indazol-3-yl]-5-chlorothiophene-2-sulfonamide.
What is the SMILES notation for N-[4-[2-[3-(aminomethyl)phenyl]ethoxy]-1H-indazol-3-yl]-5-chlorothiophene-2-sulfonamide?
The canonical SMILES for N-[4-[2-[3-(aminomethyl)phenyl]ethoxy]-1H-indazol-3-yl]-5-chlorothiophene-2-sulfonamide is NCc1cccc(CCOc2cccc3[nH]nc(NS(=O)(=O)c4ccc(Cl)s4)c23)c1.
What is the InChIKey of N-[4-[2-[3-(aminomethyl)phenyl]ethoxy]-1H-indazol-3-yl]-5-chlorothiophene-2-sulfonamide?
The InChIKey is RUWPEJDQONKIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O3S2/c21-17-7-8-18(29-17)30(26,27)25-20-19-15(23-24-20)5-2-6-16(19)28-10-9-13-3-1-4-14(11-13)12-22/h1-8,11H,9-10,12,22H2,(H2,23,24,25).
What are the key properties of N-[4-[2-[3-(aminomethyl)phenyl]ethoxy]-1H-indazol-3-yl]-5-chlorothiophene-2-sulfonamide?
N-[4-[2-[3-(aminomethyl)phenyl]ethoxy]-1H-indazol-3-yl]-5-chlorothiophene-2-sulfonamide has a molecular weight of 462.98 g/mol, XLogP of 4.16, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[3-(aminomethyl)phenyl]ethoxy]-1H-indazol-3-yl]-5-chlorothiophene-2-sulfonamide is sourced from PubChem (CID 66664271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).