N-[(1R,5S)-3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]benzenesulfonamide

C19H18ClN3O3S — CID 138580273

IUPACN-[(1R,5S)-3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]benzenesulfonamide
SMILESO=S(=O)(NC1[C@H]2CC(O)(c3cc(Cl)cc4[nH]ncc34)C[C@@H]12)c1ccccc1
InChIInChI=1S/C19H18ClN3O3S/c20-11-6-16(15-10-21-22-17(15)7-11)19(24)8-13-14(9-19)18(13)23-27(25,26)12-4-2-1-3-5-12/h1-7,10,13-14,18,23-24H,8-9H2,(H,21,22)/t13-,14+,18?,19?
InChIKeyQZQVXFANZGNCGY-BAUKFBFWSA-N
MW403.89 g/mol
LogP2.79
Rot. Bonds4

About N-[(1R,5S)-3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]benzenesulfonamide

N-[(1R,5S)-3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]benzenesulfonamide (PubChem CID 138580273) has the molecular formula C19H18ClN3O3S and a molecular weight of 403.89 g/mol. Its IUPAC name is N-[(1R,5S)-3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(1R,5S)-3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]benzenesulfonamide
PubChem CID138580273
Molecular FormulaC19H18ClN3O3S
Molecular Weight403.89 g/mol
Exact Mass403.08
IUPAC NameN-[(1R,5S)-3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]benzenesulfonamide
SMILESO=S(=O)(NC1[C@H]2CC(O)(c3cc(Cl)cc4[nH]ncc34)C[C@@H]12)c1ccccc1
InChIInChI=1S/C19H18ClN3O3S/c20-11-6-16(15-10-21-22-17(15)7-11)19(24)8-13-14(9-19)18(13)23-27(25,26)12-4-2-1-3-5-12/h1-7,10,13-14,18,23-24H,8-9H2,(H,21,22)/t13-,14+,18?,19?
InChIKeyQZQVXFANZGNCGY-BAUKFBFWSA-N
XLogP2.79
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.89
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(1R,5S)-3-(6-chloro-1H-indazol-4-yl)-6-(ethylsulfamoylamino)bicyclo[3.1.0]hexan-3-ol
CID 138580508
2-(benzenesulfonyl)-5-(6-chloro-1H-indazol-4-yl)-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-ol
CID 175478110
(1S,5R)-3-(6-chloro-1H-indazol-4-yl)bicyclo[3.1.0]hexane-3,6-diol
CID 155231247
N-[(1S,5R)-3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]cyclopentanecarboxamide
CID 138580498
N-[(1R,5S)-3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]-3-(methanesulfonamido)benzamide
CID 138580392
6-(aminomethyl)-3-(6-chloro-1H-indazol-4-yl)bicyclo[3.1.0]hexan-3-ol;hydrochloride
CID 155631307
N-[(1S,5R)-3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]oxolane-2-carboxamide
CID 138580625
N-[(1R,5S)-3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]oxolane-3-carboxamide
CID 138580623
N-[[3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]methyl]methanesulfinamide
CID 138580397
1-(6-chloro-1H-indazol-4-yl)cyclopropan-1-ol
CID 138580255
N-[(1S,5R)-3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]-5-cyanopyridine-3-carboxamide
CID 138580525
3-(benzenesulfonylmethyl)-1-(5-chloro-1H-indazol-7-yl)cyclobutan-1-ol
CID 158447617

Frequently Asked Questions

What is the IUPAC name of N-[(1R,5S)-3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]benzenesulfonamide?
The IUPAC name of N-[(1R,5S)-3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]benzenesulfonamide (CID 138580273) is N-[(1R,5S)-3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]benzenesulfonamide.
What is the SMILES notation for N-[(1R,5S)-3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]benzenesulfonamide?
The canonical SMILES for N-[(1R,5S)-3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]benzenesulfonamide is O=S(=O)(NC1[C@H]2CC(O)(c3cc(Cl)cc4[nH]ncc34)C[C@@H]12)c1ccccc1.
What is the InChIKey of N-[(1R,5S)-3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]benzenesulfonamide?
The InChIKey is QZQVXFANZGNCGY-BAUKFBFWSA-N. The full InChI is InChI=1S/C19H18ClN3O3S/c20-11-6-16(15-10-21-22-17(15)7-11)19(24)8-13-14(9-19)18(13)23-27(25,26)12-4-2-1-3-5-12/h1-7,10,13-14,18,23-24H,8-9H2,(H,21,22)/t13-,14+,18?,19?.
What are the key properties of N-[(1R,5S)-3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]benzenesulfonamide?
N-[(1R,5S)-3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]benzenesulfonamide has a molecular weight of 403.89 g/mol, XLogP of 2.79, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,5S)-3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]benzenesulfonamide is sourced from PubChem (CID 138580273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).